Exact Mass: 405.1870736

Exact Mass Matches: 405.1870736

Found 214 metabolites which its exact mass value is equals to given mass value 405.1870736, within given mass tolerance error 0.01 dalton. Try search metabolite list with more accurate mass tolerance error 0.001 dalton.

Clomifene

2-(4-(2-Chloro-1,2-diphenylethenyl)phenoxy)-N,N-diethylethanamine

C26H28ClNO (405.18593080000005)


Clomifene is only found in individuals that have used or taken this drug. It is a triphenyl ethylene stilbene derivative which is an estrogen agonist or antagonist depending on the target tissue. [PubChem]Clomifene has both estrogenic and anti-estrogenic properties, but its precise mechanism of action has not been determined. Clomifene appears to stumulate the release of gonadotropins, follicle-stimulating hormone (FSH), and leuteinizing hormone (LH), which leads to the development and maturation of ovarian follicle, ovulation, and subsequent development and function of the coprus luteum, thus resulting in pregnancy. Gonadotropin release may result from direct stimulation of the hypothalamic-pituitary axis or from a decreased inhibitory influence of estrogens on the hypothalamic-pituitary axis by competing with the endogenous estrogens of the uterus, pituitary, or hypothalamus. Clomifene has no apparent progestational, androgenic, or antrandrogenic effects and does not appear to interfere with pituitary-adrenal or pituitary-thyroid function. G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03G - Gonadotropins and other ovulation stimulants > G03GB - Ovulation stimulants, synthetic D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D005299 - Fertility Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent

   

Toremifene

(2-{4-[(1Z)-4-chloro-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine

C26H28ClNO (405.18593080000005)


Toremifene is only found in individuals that have used or taken this drug. It is a first generation nonsteroidal selective estrogen receptor modulator (SERM) that is structurally related to tamoxifen. Like tamoxifen, it is an estrogen agonist for bone tissue and cholesterol metabolism but is antagonistic on mammary and uterine tissue. [PubChem]Toremifene is a nonsteroidal triphenylethylene derivative. Toremifene binds to estrogen receptors and may exert estrogenic, antiestrogenic, or both activities, depending upon the duration of treatment, animal species, gender, target organ, or endpoint selected. The antitumor effect of toremifene in breast cancer is believed to be mainly due to its antiestrogenic effects, in other words, its ability to compete with estrogen for binding sites in the cancer, blocking the growth-stimulating effects of estrogen in the tumor. Toremifene may also inhibit tumor growth through other mechanisms, such as induction of apoptosis, regulation of oncogene expression, and growth factors. L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BA - Anti-estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents D000970 - Antineoplastic Agents C1892 - Chemopreventive Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   
   

Imidapril

(4S)-1-Methyl-3-[(2S)-2-[N-((1S)-1-ethoxycarbonyl-3-phenylpropyl)amino]propionyl]-2-oxo-imidazolidine-4-carboxylic acid

C20H27N3O6 (405.18997620000005)


Imidapril, also known as Tanatril (trade name), belongs to a class of long-acting, non-sulfhydryl angiotensin-converting enzyme (ACE) inhibitors (PMID: 12177688). It is a prodrug that is widely used in the treatment of mild to moderate essential hypertension (PMID: 17547476). A prodrug is a drug that must be metabolized in the body (via the gut or the liver) to become active. Imidapril is also prescribed to treat chronic congestive heart failure (CHF), acute myocardial infarction (AMI), and diabetic nephropathy (PMID: 12177688, 17094051). It functions through preventing angiotensin II formation, via inhibition of the angiotensin-converting enzyme (ACE), that results in reduction of peripheral resistance and a reduction in systemic blood pressure (BP) (PMID: 17547476). Imidapril is only found in individuals that have used or taken this drug. C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

   

2-[4-(4-Chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine

2-[4-(4-chloro-1,2-diphenylbut-1-enyl)phenoxy]-N,N-dimethylethanamine

C26H28ClNO (405.18593080000005)


   

Febarbamate

{[1-butoxy-3-(5-ethyl-4-hydroxy-2,6-dioxo-5-phenyl-1,2,5,6-tetrahydropyrimidin-1-yl)propan-2-yl]oxy}carboximidic acid

C20H27N3O6 (405.18997620000005)


M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BA - Carbamic acid esters C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent

   

Nitro-prednisolone

14,17-dihydroxy-14-(2-hydroxyacetyl)-2,15-dimethyl-3-nitrotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-3,6-dien-5-one

C21H27NO7 (405.17874320000004)


   
   
   
   
   

Hydroxy-roquefortine C

Hydroxy-roquefortine C

C22H23N5O3 (405.18008080000004)


CONFIDENCE Penicillium bissettii

   

ancistrotanzanine A|ancistrotectorines D

ancistrotanzanine A|ancistrotectorines D

C25H27NO4 (405.19399820000007)


   

(3E,5aS,10bR)-6,10b,11,11a-tetrahydro-11a-hydroxy-3-(1H-imidazol-5-ylmethylidene)-10b-(2-methylbut-3-en-2-yl)-2H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione|16-hydroxyroquefortine C

(3E,5aS,10bR)-6,10b,11,11a-tetrahydro-11a-hydroxy-3-(1H-imidazol-5-ylmethylidene)-10b-(2-methylbut-3-en-2-yl)-2H-pyrazino[1,2:1,5]pyrrolo[2,3-b]indole-1,4(3H,5aH)-dione|16-hydroxyroquefortine C

C22H23N5O3 (405.18008080000004)


   
   

1,2-didehydroancistrobertsonine D

1,2-didehydroancistrobertsonine D

C25H27NO4 (405.19399820000007)


   
   
   
   

Toremifene

Toremifene

C26H28ClNO (405.18593080000005)


L - Antineoplastic and immunomodulating agents > L02 - Endocrine therapy > L02B - Hormone antagonists and related agents > L02BA - Anti-estrogens D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist D050071 - Bone Density Conservation Agents D000970 - Antineoplastic Agents C1892 - Chemopreventive Agent Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

Febarbamate

[1-butoxy-3-(5-ethyl-2,4,6-trioxo-5-phenyl-1,3-diazinan-1-yl)propan-2-yl] carbamate

C20H27N3O6 (405.18997620000005)


M - Musculo-skeletal system > M03 - Muscle relaxants > M03B - Muscle relaxants, centrally acting agents > M03BA - Carbamic acid esters C78272 - Agent Affecting Nervous System > C264 - Anticonvulsant Agent

   

Imidapril

(4S)-3-[(2S)-2-{[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino}propanoyl]-1-methyl-2-oxoimidazolidine-4-carboxylic acid

C20H27N3O6 (405.18997620000005)


C - Cardiovascular system > C09 - Agents acting on the renin-angiotensin system > C09A - Ace inhibitors, plain > C09AA - Ace inhibitors, plain D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors > D000806 - Angiotensin-Converting Enzyme Inhibitors C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent C471 - Enzyme Inhibitor > C783 - Protease Inhibitor > C247 - ACE Inhibitor D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents

   

Ala Cys Gly Arg

(2S)-2-{2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]acetamido}-5-carbamimidamidopentanoic acid

C14H27N7O5S (405.1794292)


   

Ala Cys Arg Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-aminopropanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]acetic acid

C14H27N7O5S (405.1794292)


   

Ala Gly Cys Arg

(2S)-2-[(2R)-2-{2-[(2S)-2-aminopropanamido]acetamido}-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C14H27N7O5S (405.1794292)


   

Ala Gly Arg Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-aminopropanamido]acetamido}-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid

C14H27N7O5S (405.1794292)


   

Ala Asn Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ala Gln Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ala Gln Thr Ser

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Ala Arg Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]acetic acid

C14H27N7O5S (405.1794292)


   

Ala Arg Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-5-carbamimidamidopentanamido]acetamido}-3-sulfanylpropanoic acid

C14H27N7O5S (405.1794292)


   

Ala Ser Gln Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ala Ser Thr Gln

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ala Thr Asn Thr

(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ala Thr Gln Ser

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Ala Thr Ser Gln

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-4-carbamoylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ala Thr Thr Asn

(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-aminopropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]-3-carbamoylpropanoic acid

C15H27N5O8 (405.18595419999997)


   

Cys Ala Gly Arg

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]acetamido}-5-carbamimidamidopentanoic acid

C14H27N7O5S (405.1794292)


   

Cys Ala Arg Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]propanamido]-5-carbamimidamidopentanamido]acetic acid

C14H27N7O5S (405.1794292)


   

Cys Gly Ala Arg

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}propanamido]-5-carbamimidamidopentanoic acid

C14H27N7O5S (405.1794292)


   

Cys Gly Arg Ala

(2S)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-5-carbamimidamidopentanamido]propanoic acid

C14H27N7O5S (405.1794292)


   

Cys Arg Ala Gly

2-[(2S)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]propanamido]acetic acid

C14H27N7O5S (405.1794292)


   

Cys Arg Gly Ala

(2S)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]acetamido}propanoic acid

C14H27N7O5S (405.1794292)


   

Asp Gly Lys Ser

(3S)-3-amino-3-[({[(1S)-5-amino-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Asp Gly Ser Lys

(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-amino-3-carboxypropanamido]acetamido}-3-hydroxypropanamido]hexanoic acid

C15H27N5O8 (405.18595419999997)


   

Asp Lys Gly Ser

(3S)-3-amino-3-{[(1S)-5-amino-1-[({[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]pentyl]carbamoyl}propanoic acid

C15H27N5O8 (405.18595419999997)


   

Asp Lys Ser Gly

(3S)-3-amino-3-{[(1S)-5-amino-1-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}propanoic acid

C15H27N5O8 (405.18595419999997)


   

Asp Ser Gly Lys

(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-hydroxypropanamido]acetamido}hexanoic acid

C15H27N5O8 (405.18595419999997)


   

Asp Ser Lys Gly

(3S)-3-amino-3-{[(1S)-1-{[(1S)-5-amino-1-[(carboxymethyl)carbamoyl]pentyl]carbamoyl}-2-hydroxyethyl]carbamoyl}propanoic acid

C15H27N5O8 (405.18595419999997)


   

Gly Ala Cys Arg

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)propanamido]-3-sulfanylpropanamido]-5-carbamimidamidopentanoic acid

C14H27N7O5S (405.1794292)


   

Gly Ala Arg Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)propanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanoic acid

C14H27N7O5S (405.1794292)


   

Gly Cys Ala Arg

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]propanamido]-5-carbamimidamidopentanoic acid

C14H27N7O5S (405.1794292)


   

Gly Cys Arg Ala

(2S)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]propanoic acid

C14H27N7O5S (405.1794292)


   

Gly Asp Lys Ser

(3S)-3-{[(1S)-5-amino-1-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}pentyl]carbamoyl}-3-(2-aminoacetamido)propanoic acid

C15H27N5O8 (405.18595419999997)


   

Gly Asp Ser Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-carboxypropanamido]-3-hydroxypropanamido]hexanoic acid

C15H27N5O8 (405.18595419999997)


   

Gly Lys Asp Ser

(3S)-3-[(2S)-6-amino-2-(2-aminoacetamido)hexanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid

C15H27N5O8 (405.18595419999997)


   

Gly Lys Ser Asp

(2S)-2-[(2S)-2-[(2S)-6-amino-2-(2-aminoacetamido)hexanamido]-3-hydroxypropanamido]butanedioic acid

C15H27N5O8 (405.18595419999997)


   

Gly Gln Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2S)-2-(2-aminoacetamido)-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Gly Arg Ala Cys

(2R)-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]propanamido]-3-sulfanylpropanoic acid

C14H27N7O5S (405.1794292)


   

Gly Arg Cys Ala

(2S)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]propanoic acid

C14H27N7O5S (405.1794292)


   

Gly Ser Asp Lys

(2S)-6-amino-2-[(2S)-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]-3-carboxypropanamido]hexanoic acid

C15H27N5O8 (405.18595419999997)


   

Gly Ser Lys Asp

(2S)-2-[(2S)-6-amino-2-[(2S)-2-(2-aminoacetamido)-3-hydroxypropanamido]hexanamido]butanedioic acid

C15H27N5O8 (405.18595419999997)


   

Gly Thr Gln Thr

(2S,3R)-2-[(2S)-2-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Gly Thr Thr Gln

(2S)-2-[(2S,3R)-2-[(2S,3R)-2-(2-aminoacetamido)-3-hydroxybutanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C15H27N5O8 (405.18595419999997)


   
   

Lys Asp Gly Ser

(3S)-3-[({[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}methyl)carbamoyl]-3-[(2S)-2,6-diaminohexanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Lys Asp Ser Gly

(3S)-3-{[(1S)-1-[(carboxymethyl)carbamoyl]-2-hydroxyethyl]carbamoyl}-3-[(2S)-2,6-diaminohexanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Lys Gly Asp Ser

(3S)-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}-3-{2-[(2S)-2,6-diaminohexanamido]acetamido}propanoic acid

C15H27N5O8 (405.18595419999997)


   

Lys Gly Ser Asp

(2S)-2-[(2S)-2-{2-[(2S)-2,6-diaminohexanamido]acetamido}-3-hydroxypropanamido]butanedioic acid

C15H27N5O8 (405.18595419999997)


   

Lys Ser Asp Gly

(3S)-3-[(carboxymethyl)carbamoyl]-3-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Lys Ser Gly Asp

(2S)-2-{2-[(2S)-2-[(2S)-2,6-diaminohexanamido]-3-hydroxypropanamido]acetamido}butanedioic acid

C15H27N5O8 (405.18595419999997)


   
   

Asn Ala Thr Thr

(2S,3R)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]propanamido]-3-hydroxybutanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   
   

Asn Ser Ser Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-methylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Asn Ser Val Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-methylbutanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Asn Thr Ala Thr

(2S,3R)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]propanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Asn Thr Thr Ala

(2S)-2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Asn Val Ser Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carbamoylpropanamido]-3-methylbutanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   
   

Gln Ala Ser Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]propanamido]-3-hydroxypropanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Gln Ala Thr Ser

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]propanamido]-3-hydroxybutanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Gln Gly Thr Thr

(2S,3R)-2-[(2S,3R)-2-{2-[(2S)-2-amino-4-carbamoylbutanamido]acetamido}-3-hydroxybutanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Gln Ser Ala Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]propanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Gln Ser Thr Ala

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxypropanamido]-3-hydroxybutanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Gln Thr Ala Ser

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]propanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Gln Thr Gly Thr

(2S,3R)-2-{2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]acetamido}-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Gln Thr Ser Ala

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Gln Thr Thr Gly

2-[(2S,3R)-2-[(2S,3R)-2-[(2S)-2-amino-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-hydroxybutanamido]acetic acid

C15H27N5O8 (405.18595419999997)


   

Arg Ala Cys Gly

2-[(2R)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanamido]-3-sulfanylpropanamido]acetic acid

C14H27N7O5S (405.1794292)


   

Arg Ala Gly Cys

(2R)-2-{2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]propanamido]acetamido}-3-sulfanylpropanoic acid

C14H27N7O5S (405.1794292)


   

Arg Cys Ala Gly

2-[(2S)-2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]propanamido]acetic acid

C14H27N7O5S (405.1794292)


   

Arg Cys Gly Ala

(2S)-2-{2-[(2R)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]acetamido}propanoic acid

C14H27N7O5S (405.1794292)


   
   

Arg Gly Ala Cys

(2R)-2-[(2S)-2-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}propanamido]-3-sulfanylpropanoic acid

C14H27N7O5S (405.1794292)


   

Arg Gly Cys Ala

(2S)-2-[(2R)-2-{2-[(2S)-2-amino-5-carbamimidamidopentanamido]acetamido}-3-sulfanylpropanamido]propanoic acid

C14H27N7O5S (405.1794292)


   
   

Ser Ala Gln Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Ala Thr Gln

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]propanamido]-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Asp Gly Lys

(2S)-6-amino-2-{2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carboxypropanamido]acetamido}hexanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Asp Lys Gly

(3S)-3-{[(1S)-5-amino-1-[(carboxymethyl)carbamoyl]pentyl]carbamoyl}-3-[(2S)-2-amino-3-hydroxypropanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Gly Asp Lys

(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}-3-carboxypropanamido]hexanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Gly Lys Asp

(2S)-2-[(2S)-6-amino-2-{2-[(2S)-2-amino-3-hydroxypropanamido]acetamido}hexanamido]butanedioic acid

C15H27N5O8 (405.18595419999997)


   

Ser Lys Asp Gly

(3S)-3-[(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanamido]-3-[(carboxymethyl)carbamoyl]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Lys Gly Asp

(2S)-2-{2-[(2S)-6-amino-2-[(2S)-2-amino-3-hydroxypropanamido]hexanamido]acetamido}butanedioic acid

C15H27N5O8 (405.18595419999997)


   

Ser Asn Ser Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-methylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Asn Val Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-methylbutanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Gln Ala Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]propanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Gln Thr Ala

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Ser Asn Val

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-methylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Ser Val Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxypropanamido]-3-methylbutanamido]-3-carbamoylpropanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Thr Ala Gln

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]propanamido]-4-carbamoylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Thr Gln Ala

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Val Asn Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanamido]-3-carbamoylpropanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Ser Val Ser Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-methylbutanamido]-3-hydroxypropanamido]-3-carbamoylpropanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Ala Asn Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-3-carbamoylpropanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Ala Gln Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-4-carbamoylbutanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Ala Ser Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-3-hydroxypropanamido]-4-carbamoylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Ala Thr Asn

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]propanamido]-3-hydroxybutanamido]-3-carbamoylpropanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Gly Gln Thr

(2S,3R)-2-[(2S)-2-{2-[(2S,3R)-2-amino-3-hydroxybutanamido]acetamido}-4-carbamoylbutanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Gly Thr Gln

(2S)-2-[(2S,3R)-2-{2-[(2S,3R)-2-amino-3-hydroxybutanamido]acetamido}-3-hydroxybutanamido]-4-carbamoylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Asn Ala Thr

(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]propanamido]-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Asn Thr Ala

(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-carbamoylpropanamido]-3-hydroxybutanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Gln Ala Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]propanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Gln Gly Thr

(2S,3R)-2-{2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]acetamido}-3-hydroxybutanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Gln Ser Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-hydroxypropanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Gln Thr Gly

2-[(2S,3R)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-4-carbamoylbutanamido]-3-hydroxybutanamido]acetic acid

C15H27N5O8 (405.18595419999997)


   

Thr Ser Ala Gln

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]propanamido]-4-carbamoylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Ser Gln Ala

(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanamido]-4-carbamoylbutanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Thr Ala Asn

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]propanamido]-3-carbamoylpropanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Thr Gly Gln

(2S)-2-{2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]acetamido}-4-carbamoylbutanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Thr Asn Ala

(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-3-carbamoylpropanamido]propanoic acid

C15H27N5O8 (405.18595419999997)


   

Thr Thr Gln Gly

2-[(2S)-2-[(2S,3R)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxybutanamido]-4-carbamoylbutanamido]acetic acid

C15H27N5O8 (405.18595419999997)


   

Val Asn Ser Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-carbamoylpropanamido]-3-hydroxypropanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Val Ser Asn Ser

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]-3-carbamoylpropanamido]-3-hydroxypropanoic acid

C15H27N5O8 (405.18595419999997)


   

Val Ser Ser Asn

(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-methylbutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-carbamoylpropanoic acid

C15H27N5O8 (405.18595419999997)


   

Epolactaene

3-(2-methoxy-10-(methoxycarbonyl)-8-methyldodeca-2Z,6E,8E,10E-tetraenoyl)-3(R),4(R)-epoxy-5-hydroxy-5-methylpyrrolidin-2-one

C21H27NO7 (405.17874320000004)


   

Tetranor PGE1 Taurine

N-tauro-9,13-dihydroxy-7-oxo-tetranorprosta-11-enoate

C18H31NO7S (405.18211360000004)


   

icas#12

5R-(3R-hydroxy-5R-O-(1H-indol-3-ylcarbonyl)-6S-methyl-(2H)-tetrahydropyran-2-yloxy)-hexanoic acid

C21H27NO7 (405.17874320000004)


A 4-O-(1H-indol-3-ylcarbonyl)ascaroside derived from (5R)-5-hydroxyhexanoic acid. It is a metabolite of the nematode Caenorhabditis elegans.

   

SGI-1776 free base

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C20H22F3N5O (405.1776358)


C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor

   

Adoprazine

Adoprazine

C24H24FN3O2 (405.1852456)


Adoprazine (SLV313) is a full 5-HT1A receptor agonist with a pEC50 of 9 at cloned h5-HT1A receptors. Adoprazine (SLV313) is a full D2 and D3 receptor antagonist with pA2s of 9.3 and 8.9 at hD2 and hD3 receptors, respectively. Adoprazine (SLV313) has the characteristics of atypical antipsychotics[1].

   

2-Chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-5 -methyl-1H-pyrazol-3-yl]benzamide

2-Chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[1-(2-hydroxyethyl)-5 -methyl-1H-pyrazol-3-yl]benzamide

C21H28ClN3O3 (405.1819088000001)


   

DIETHYL 1,4-DIHYDRO-2,6-DIMETHYL-1,4-DIPHENYL-3,5-PYRIDINEDICARBOXYLATE

DIETHYL 1,4-DIHYDRO-2,6-DIMETHYL-1,4-DIPHENYL-3,5-PYRIDINEDICARBOXYLATE

C25H27NO4 (405.19399820000007)


   

N-Fmoc-2-amino-2-(3-butenyl)hex-5-enoic acid

N-Fmoc-2-amino-2-(3-butenyl)hex-5-enoic acid

C25H27NO4 (405.19399820000007)


   

(5R)-5-[[3,6-Dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy]hexanoic acid

(5R)-5-[[3,6-Dideoxy-4-O-(1H-indol-3-ylcarbonyl)-alpha-L-arabino-hexopyranosyl]oxy]hexanoic acid

C21H27NO7 (405.17874320000004)


   

Clomifene

Zuclomiphene

C26H28ClNO (405.18593080000005)


G - Genito urinary system and sex hormones > G03 - Sex hormones and modulators of the genital system > G03G - Gonadotropins and other ovulation stimulants > G03GB - Ovulation stimulants, synthetic D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D020847 - Estrogen Receptor Modulators D006730 - Hormones, Hormone Substitutes, and Hormone Antagonists > D006727 - Hormone Antagonists > D004965 - Estrogen Antagonists C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C1821 - Selective Estrogen Receptor Modulator C274 - Antineoplastic Agent > C129818 - Antineoplastic Hormonal/Endocrine Agent > C481 - Antiestrogen C147908 - Hormone Therapy Agent > C548 - Therapeutic Hormone > C483 - Therapeutic Estrogen D012102 - Reproductive Control Agents > D005299 - Fertility Agents C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist C1892 - Chemopreventive Agent C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C1971 - Angiogenesis Activator Inhibitor

   

2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine

2-(4-(4-Chloro-1,2-diphenylbut-1-en-1-yl)phenoxy)-N,N-dimethylethanamine

C26H28ClNO (405.18593080000005)


   

11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-1-nitro-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

C21H27NO7 (405.17874320000004)


   

Ancistrotanzanine A

Ancistrotanzanine A

C25H27NO4 (405.19399820000007)


An isoquinoline alkaloid that is (3S)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinoline substituted by a 1-hydroxy-8-methoxy-3-methylnaphthalen-2-yl group at position 5. It is isolated from the leaves of Ancistrocladus tanzaniensis and exhibits antiplasmodial, antileishmanial and antitrypanocidal activities.

   
   
   

N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide

N-[2-(3,4-diethoxyphenyl)ethyl]-4-phenoxybenzamide

C25H27NO4 (405.19399820000007)


   

2-(4-Chlorophenyl)-3-(4-fluorophenyl)-1-(4-morpholinyl)-3-heptanol

2-(4-Chlorophenyl)-3-(4-fluorophenyl)-1-(4-morpholinyl)-3-heptanol

C23H29ClFNO2 (405.1870736)


   

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C21H27NO7 (405.17874320000004)


   

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1S,3S,4aS,9aR)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C21H27NO7 (405.17874320000004)


   

N-[2-[(2R,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

N-[2-[(2R,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

C20H27N3O6 (405.18997620000005)


   

N-[2-[(2S,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

N-[2-[(2S,5S,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

C20H27N3O6 (405.18997620000005)


   

1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

1-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

C20H27N3O6 (405.18997620000005)


   

1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

1-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

C20H27N3O6 (405.18997620000005)


   

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C21H27NO7 (405.17874320000004)


   

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C21H27NO7 (405.17874320000004)


   

N-[2-[(2S,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

N-[2-[(2S,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

C20H27N3O6 (405.18997620000005)


   

N-[2-[(2R,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

N-[2-[(2R,5R,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

C20H27N3O6 (405.18997620000005)


   

N-[2-[(2R,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

N-[2-[(2R,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

C20H27N3O6 (405.18997620000005)


   

N-[2-[(2R,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

N-[2-[(2R,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

C20H27N3O6 (405.18997620000005)


   

N-[2-[(2S,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

N-[2-[(2S,5S,6S)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

C20H27N3O6 (405.18997620000005)


   

N-[2-[(2S,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

N-[2-[(2S,5R,6R)-5-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-6-(hydroxymethyl)-2-oxanyl]ethyl]cyclopropanecarboxamide

C20H27N3O6 (405.18997620000005)


   

1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

1-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

C20H27N3O6 (405.18997620000005)


   

1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

1-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

C20H27N3O6 (405.18997620000005)


   

1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

1-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(4-morpholinyl)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]-3-(3-methoxyphenyl)urea

C20H27N3O6 (405.18997620000005)


   

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C21H27NO7 (405.17874320000004)


   

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-[[4-oxanyl(oxo)methyl]amino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester

C21H27NO7 (405.17874320000004)


   
   
   
   
   
   
   

2-(3-Trimethylsilyloxybutoxy)-4-quinolinecarboxylic acid trimethylsilyl ester

2-(3-Trimethylsilyloxybutoxy)-4-quinolinecarboxylic acid trimethylsilyl ester

C20H31NO4Si2 (405.17915260000007)


   
   

Rac1-IN-3

Rac1-IN-3

C21H23N7O2 (405.1913138)


Rac1-IN-3 (Compound 2) is a Rac1 inhibitor with an IC50 of 46.1 μM[1].

   

2-[(3r)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol

2-[(3r)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol

C25H27NO4 (405.19399820000007)


   

2-(6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl)-8-methoxy-3-methylnaphthalen-1-ol

2-(6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-5-yl)-8-methoxy-3-methylnaphthalen-1-ol

C25H27NO4 (405.19399820000007)


   

(3s)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol

(3s)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol

C25H27NO4 (405.19399820000007)


   

ancistrobarterine a

NA

C25H27NO4 (405.19399820000007)


{"Ingredient_id": "HBIN015982","Ingredient_name": "ancistrobarterine a","Alias": "NA","Ingredient_formula": "C25H27NO4","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C4C=CC=C(C4=C(C=C3C)OC)OC)O","Ingredient_weight": "405.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "21539","PubChem_id": "135457480","DrugBank_id": "NA"}

   

ancistrocladidine

NA

C25H27NO4 (405.19399820000007)


{"Ingredient_id": "HBIN015989","Ingredient_name": "ancistrocladidine","Alias": "NA","Ingredient_formula": "C25H27NO4","Ingredient_Smile": "CC1CC2=CC(=C(C(=C2C(=N1)C)OC)C3=C(C4=C(C=CC=C4OC)C=C3C)O)OC","Ingredient_weight": "405.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "1141","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "193880","DrugBank_id": "NA"}

   

7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol

7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol

C25H27NO4 (405.19399820000007)


   

4-ethenyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl acetate

4-ethenyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl acetate

C21H27NO7 (405.17874320000004)


   

(2e,4e,6e,8e,10r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

(2e,4e,6e,8e,10r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

C25H27NO4 (405.19399820000007)


   

(1s,4z,7s,9r)-6,7-dihydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

(1s,4z,7s,9r)-6,7-dihydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

C22H23N5O3 (405.18008080000004)


   

(4z)-5-hydroxy-4-[(2e,4e,6r)-1-hydroxy-6-[(1s,2s,4s,5r,6s,8s)-5-hydroxy-1,2-dimethyl-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dien-1-ylidene]-2h-pyrrol-3-one

(4z)-5-hydroxy-4-[(2e,4e,6r)-1-hydroxy-6-[(1s,2s,4s,5r,6s,8s)-5-hydroxy-1,2-dimethyl-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl]-4-methylhepta-2,4-dien-1-ylidene]-2h-pyrrol-3-one

C21H27NO7 (405.17874320000004)


   

(2e,4e,6e,8e,10s)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

(2e,4e,6e,8e,10s)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

C25H27NO4 (405.19399820000007)


   

4-{[1-hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-en-1-ylidene]amino}butanoic acid

4-{[1-hydroxy-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1h-2-benzofuran-5-yl)-4-methylhex-4-en-1-ylidene]amino}butanoic acid

C21H27NO7 (405.17874320000004)


   

2-[(3s)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol

2-[(3s)-6,8-dimethoxy-1,3-dimethyl-3,4-dihydroisoquinolin-7-yl]-8-methoxy-3-methylnaphthalen-1-ol

C25H27NO4 (405.19399820000007)


   

(1s,4e,7r,9r)-6,7-dihydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

(1s,4e,7r,9r)-6,7-dihydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

C22H23N5O3 (405.18008080000004)


   

3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanimidic acid

3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanimidic acid

C21H27NO7 (405.17874320000004)


   

(1s,7s,9r)-6,7-dihydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

(1s,7s,9r)-6,7-dihydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

C22H23N5O3 (405.18008080000004)


   

(2e,4e,6e,8e)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

(2e,4e,6e,8e)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

C25H27NO4 (405.19399820000007)


   

(1s,7r,9r)-6,7-dihydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

(1s,7r,9r)-6,7-dihydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

C22H23N5O3 (405.18008080000004)


   

(1s,4z,7r,9r)-6,7-dihydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

(1s,4z,7r,9r)-6,7-dihydroxy-4-(3h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

C22H23N5O3 (405.18008080000004)


   

(10r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

(10r)-1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

C25H27NO4 (405.19399820000007)


   

5-hydroxy-4-(1-hydroxy-6-{5-hydroxy-1,2-dimethyl-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl}-4-methylhepta-2,4-dien-1-ylidene)-2h-pyrrol-3-one

5-hydroxy-4-(1-hydroxy-6-{5-hydroxy-1,2-dimethyl-3,9,10-trioxatricyclo[4.3.1.0²,⁴]decan-8-yl}-4-methylhepta-2,4-dien-1-ylidene)-2h-pyrrol-3-one

C21H27NO7 (405.17874320000004)


   

(3r)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol

(3r)-7-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-6-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-8-ol

C25H27NO4 (405.19399820000007)


   

6,7-dihydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

6,7-dihydroxy-4-(1h-imidazol-4-ylmethylidene)-9-(2-methylbut-3-en-2-yl)-2,5,16-triazatetracyclo[7.7.0.0²,⁷.0¹⁰,¹⁵]hexadeca-5,10,12,14-tetraen-3-one

C22H23N5O3 (405.18008080000004)


   

1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

1-[2,4-dihydroxy-5-(4-hydroxyphenyl)pyridin-3-yl]-8,10-dimethyldodeca-2,4,6,8-tetraen-1-one

C25H27NO4 (405.19399820000007)


   

(1r,4z,6r,7s)-4-ethenyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl acetate

(1r,4z,6r,7s)-4-ethenyl-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadeca-4,11-dien-7-yl acetate

C21H27NO7 (405.17874320000004)


   

(2s,3s)-3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanimidic acid

(2s,3s)-3-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydroxy-2-[(4-hydroxy-3-methoxyphenyl)methyl]butanimidic acid

C21H27NO7 (405.17874320000004)


   

(1s,4z,6r,7r,17r)-7-(acetyloxy)-4-ethenyl-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadeca-4,11-dien-14-ium-17-olate

(1s,4z,6r,7r,17r)-7-(acetyloxy)-4-ethenyl-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.0¹⁴,¹⁷]heptadeca-4,11-dien-14-ium-17-olate

C21H27NO7 (405.17874320000004)