Exact Mass: 389.2355
Exact Mass Matches: 389.2355
Found 500 metabolites which its exact mass value is equals to given mass value 389.2355
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Cilazprilat
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
Alfuzosin
Alfuzosin is only found in individuals that have used or taken this drug. It is an alpha-adrenergic blocker used to treat benign prostatic hyperplasia (BPH). It works by relaxing the muscles in the prostate and bladder neck, making it easier to urinate. [Wikipedia]Alfuzosin is a non-subtype specific alpha(1)-adrenergic blocking agent that exhibits selectivity for alpha(1)-adrenergic receptors in the lower urinary tract. Inhibition of these adrenoreceptors leads to the relaxation of smooth muscle in the bladder neck and prostate, resulting in the improvement in urine flow and a reduction in symptoms in benign prostate hyperplasia. Alfuzosin also inhibits the vasoconstrictor effect of circulating and locally released catecholamines (epinephrine and norepinephrine), resulting in peripheral vasodilation. G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CA - Alpha-adrenoreceptor antagonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents Alfuzosin (SL 77499-10) is an orally active, selective and competitive α1-adrenoceptor antagonist. Alfuzosin relaxes the muscles of the prostate and bladder neck, aiding in urination. Alfuzosin can be used in study of benign prostatic hyperplasia (BPH)[1][2].
4-Hydroxydodecanedioylcarnitine
4-Hydroxydodecanedioylcarnitine is an acylcarnitine. More specifically, it is an 4-Hydroxydodecanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 4-Hydroxydodecanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 4-Hydroxydodecanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
10-Hydroxydodecanedioylcarnitine
10-Hydroxydodecanedioylcarnitine is an acylcarnitine. More specifically, it is an 10-Hydroxydodecanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 10-Hydroxydodecanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 10-Hydroxydodecanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
5-Hydroxydodecanedioylcarnitine
5-Hydroxydodecanedioylcarnitine is an acylcarnitine. More specifically, it is an 5-Hydroxydodecanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 5-Hydroxydodecanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 5-Hydroxydodecanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
6-Hydroxydodecanedioylcarnitine
6-Hydroxydodecanedioylcarnitine is an acylcarnitine. More specifically, it is an 6-Hydroxydodecanedioic acid ester of carnitine. Acylcarnitines were first discovered more than 70 year ago (PMID: 13825279). It is believed that there are more than 1000 types of acylcarnitines in the human body. The general role of acylcarnitines is to transport acyl-groups (organic acids and fatty acids) from the cytoplasm into the mitochondria so that they can be broken down to produce energy. This process is known as beta-oxidation. According to a recent review [Dambrova et al. 2021, Physiological Reviews], acylcarnitines (ACs) can be classified into 9 different categories depending on the type and size of their acyl-group: 1) short-chain ACs; 2) medium-chain ACs; 3) long-chain ACs; 4) very long-chain ACs; 5) hydroxy ACs; 6) branched chain ACs; 7) unsaturated ACs; 8) dicarboxylic ACs and 9) miscellaneous ACs. Short-chain ACs have acyl-groups with two to five carbons (C2-C5), medium-chain ACs have acyl-groups with six to thirteen carbons (C6-C13), long-chain ACs have acyl-groups with fourteen to twenty once carbons (C14-C21) and very long-chain ACs have acyl groups with more than 22 carbons. 6-Hydroxydodecanedioylcarnitine is therefore classified as a medium chain AC. As a medium-chain acylcarnitine 6-Hydroxydodecanedioylcarnitine is somewhat less abundant than short-chain acylcarnitines. These are formed either through esterification with L-carnitine or through the peroxisomal metabolism of longer chain acylcarnitines (PMID: 30540494). Many medium-chain acylcarnitines can serve as useful markers for inherited disorders of fatty acid metabolism. Carnitine octanoyltransferase (CrOT, EC:2.3.1.137) is responsible for the synthesis of all medium-chain (MCAC, C5-C12) and medium-length branched-chain acylcarnitines in peroxisomes (PMID: 10486279). The study of acylcarnitines is an active area of research and it is likely that many novel acylcarnitines will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered. An excellent review of the current state of knowledge for acylcarnitines is available at [Dambrova et al. 2021, Physiological Reviews].
N-Eicosapentaenoyl Serine
N-eicosapentaenoyl serine belongs to the class of compounds known as N-acylamides. These are molecules characterized by a fatty acyl group linked to a primary amine by an amide bond. More specifically, it is an Eicosapentaenoic acid amide of Serine. It is believed that there are more than 800 types of N-acylamides in the human body. N-acylamides fall into several categories: amino acid conjugates (e.g., those acyl amides conjugated with amino acids), neurotransmitter conjugates (e.g., those acylamides conjugated with neurotransmitters), ethanolamine conjugates (e.g., those acylamides conjugated to ethanolamine), and taurine conjugates (e.g., those acyamides conjugated to taurine). N-Eicosapentaenoyl Serine is an amino acid conjugate. N-acylamides can be classified into 9 different categories depending on the size of their acyl-group: 1) short-chain N-acylamides; 2) medium-chain N-acylamides; 3) long-chain N-acylamides; and 4) very long-chain N-acylamides; 5) hydroxy N-acylamides; 6) branched chain N-acylamides; 7) unsaturated N-acylamides; 8) dicarboxylic N-acylamides and 9) miscellaneous N-acylamides. N-Eicosapentaenoyl Serine is therefore classified as a long chain N-acylamide. N-acyl amides have a variety of signaling functions in physiology, including in cardiovascular activity, metabolic homeostasis, memory, cognition, pain, motor control and others (PMID: 15655504). N-acyl amides have also been shown to play a role in cell migration, inflammation and certain pathological conditions such as diabetes, cancer, neurodegenerative disease, and obesity (PMID: 23144998; PMID: 25136293; PMID: 28854168).N-acyl amides can be synthesized both endogenously and by gut microbiota (PMID: 28854168). N-acylamides can be biosynthesized via different routes, depending on the parent amine group. N-acyl ethanolamines (NAEs) are formed via the hydrolysis of an unusual phospholipid precursor, N-acyl-phosphatidylethanolamine (NAPE), by a specific phospholipase D. N-acyl amino acids are synthesized via a circulating peptidase M20 domain containing 1 (PM20D1), which can catalyze the bidirectional the condensation and hydrolysis of a variety of N-acyl amino acids. The degradation of N-acylamides is largely mediated by an enzyme called fatty acid amide hydrolase (FAAH), which catalyzes the hydrolysis of N-acylamides into fatty acids and the biogenic amines. Many N-acylamides are involved in lipid signaling system through interactions with transient receptor potential channels (TRP). TRP channel proteins interact with N-acyl amides such as N-arachidonoyl ethanolamide (Anandamide), N-arachidonoyl dopamine and others in an opportunistic fashion (PMID: 23178153). This signaling system has been shown to play a role in the physiological processes involved in inflammation (PMID: 25136293). Other N-acyl amides, including N-oleoyl-glutamine, have also been characterized as TRP channel antagonists (PMID: 29967167). N-acylamides have also been shown to have G-protein-coupled receptors (GPCRs) binding activity (PMID: 28854168). The study of N-acylamides is an active area of research and it is likely that many novel N-acylamides will be discovered in the coming years. It is also likely that many novel roles in health and disease will be uncovered for these molecules.
1-Demethylmethergoline
3-(2-(4-Methylpiperazin-1-yl)-2-oxoethyl)-2-phenyl-2,3,6,7-tetrahydrocyclopenta[f]isoindol-1(5H)-one
(2S,3R)-3-Butan-2-yl-N-hydroxy-N'-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-prop-2-enylbutanediamide
Dalcetrapib
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dalcetrapib (JTT-705) is an orally active cholesteryl ester transfer protein (CETP) inhibitor with IC50s of 204.6 nM and 6 μM against recombinant human (rh) CETP and human plasma CETP, respectively[1][2].
N-(2-(4-Methylpyridinyl))-N-(1-phenethyl-4-piperidinyl)-2-furamide
3-[2-(1,1-dimethyl-allyl)-5-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-6-methylene-piperazine-2,5-dione|Isoechinulin B
3-[2-(1,1-dimethyl-allyl)-6-(3-methyl-but-2-enyl)-indol-3-ylmethylene]-6-methylene-piperazine-2,5-dione|Cryptoechinulin A|Kryptoechinulin A|Neoechinulin C
tert-Butyl (3S)-3-{[(2-morpholinoethyl)amino]carbonyl}-3,4-dihydroisoquinoline-2(1H)-carboxylate
3-methyl-5-[(2Z,3aR)-1t-methyl-8t-((2S)-4c-methyl-5-oxo-tetrahydrofuran-2r-yl)-(3ar,10at,10bt)-decahydro-2H-furo[3,2-c]pyrrolo[1,2-a]azepin-2-yl]-5H-furan-2-one|stemocochinin
12-(4-aminophenyl)-10-hydroxy-6-(1-hydroxyethyl)-7,9-dimethyl-12-oxododeca-2,4-dienoic acid
(3RS,4RS,6RS,8aSR,9SR,10aSR)-6-ethyl-2,3,4,5,5,6,6,7,8,8a,9,10-dodecahydro-6-methoxy-2-methylspiro[1H-4,10a-methanopentaleno[1,6-cd]azonine-11,3(4H)-2H-pyran]-9-carboxylic acid|yuzuric acid
alfuzosin
G - Genito urinary system and sex hormones > G04 - Urologicals > G04C - Drugs used in benign prostatic hypertrophy > G04CA - Alpha-adrenoreceptor antagonists C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D000089162 - Genitourinary Agents > D064804 - Urological Agents CONFIDENCE standard compound; EAWAG_UCHEM_ID 3350 Alfuzosin (SL 77499-10) is an orally active, selective and competitive α1-adrenoceptor antagonist. Alfuzosin relaxes the muscles of the prostate and bladder neck, aiding in urination. Alfuzosin can be used in study of benign prostatic hyperplasia (BPH)[1][2].
Ala Ala Lys Thr
Ala Ala Gln Thr
Ala Ala Thr Lys
Ala Ala Thr Gln
Ala Asp Gly Lys
Ala Asp Lys Gly
Ala Gly Asp Lys
Ala Gly Lys Asp
Ala Gly Arg Ser
Ala Gly Ser Arg
Ala Lys Ala Thr
Ala Lys Asp Gly
Ala Lys Gly Asp
Ala Lys Thr Ala
Ala Asn Ser Val
Ala Asn Val Ser
Ala Gln Ala Thr
Ala Gln Thr Ala
Ala Arg Gly Ser
Ala Arg Ser Gly
Ala Ser Gly Arg
Ala Ser Asn Val
Ala Ser Arg Gly
Ala Ser Val Asn
Ala Thr Ala Lys
Ala Thr Ala Gln
Ala Thr Lys Ala
Ala Thr Gln Ala
Ala Val Asn Ser
Ala Val Ser Asn
Asp Ala Gly Lys
Asp Ala Lys Gly
Asp Gly Ala Lys
Asp Gly Lys Ala
Asp Lys Ala Gly
Asp Lys Gly Ala
Glu Gly Gly Lys
Glu Gly Lys Gly
Glu Lys Gly Gly
Gly Ala Asp Lys
Gly Ala Lys Asp
Gly Ala Arg Ser
Gly Ala Ser Arg
Gly Asp Ala Lys
Gly Asp Lys Ala
Gly Glu Gly Lys
Gly Glu Lys Gly
Gly Gly Glu Lys
Gly Gly Arg Thr
Gly Gly Thr Arg
Gly Ile Asn Ser
Gly Ile Ser Asn
Gly Lys Ala Asp
Gly Lys Asp Ala
Gly Lys Glu Gly
Gly Lys Ser Val
Gly Lys Val Ser
Gly Leu Asn Ser
Gly Leu Ser Asn
Gly Asn Ile Ser
Gly Asn Leu Ser
Gly Asn Ser Ile
Gly Asn Ser Leu
Gly Asn Thr Val
Gly Asn Val Thr
Gly Gln Ser Val
Gly Gln Val Ser
Gly Arg Ala Ser
Gly Arg Gly Thr
Gly Arg Ser Ala
Gly Arg Thr Gly
Gly Ser Ala Arg
Gly Ser Ile Asn
Gly Ser Lys Val
Gly Ser Leu Asn
Gly Ser Asn Ile
Gly Ser Asn Leu
Gly Ser Gln Val
Gly Ser Arg Ala
Gly Ser Val Lys
Gly Ser Val Gln
Gly Thr Gly Arg
Gly Thr Asn Val
Gly Thr Arg Gly
Gly Thr Val Asn
Gly Val Lys Ser
Gly Val Asn Thr
Gly Val Gln Ser
Gly Val Ser Lys
Gly Val Ser Gln
Gly Val Thr Asn
Ile Gly Asn Ser
Ile Gly Ser Asn
Ile Asn Gly Ser
Ile Asn Ser Gly
Ile Ser Gly Asn
Ile Ser Asn Gly
Lys Ala Ala Thr
Lys Ala Asp Gly
Lys Ala Gly Asp
Lys Ala Thr Ala
Lys Asp Ala Gly
Lys Asp Gly Ala
Lys Glu Gly Gly
Lys Gly Ala Asp
Lys Gly Asp Ala
Lys Gly Glu Gly
Lys Gly Ser Val
Lys Gly Val Ser
Lys Ser Gly Val
Lys Ser Val Gly
Lys Thr Ala Ala
Lys Val Gly Ser
Lys Val Ser Gly
Leu Gly Asn Ser
Leu Gly Ser Asn
Leu Asn Gly Ser
Leu Asn Ser Gly
Leu Ser Gly Asn
Leu Ser Asn Gly
Asn Ala Ser Val
Asn Ala Val Ser
Asn Gly Ile Ser
Asn Gly Leu Ser
Asn Gly Ser Ile
Asn Gly Ser Leu
Asn Gly Thr Val
Asn Gly Val Thr
Asn Ile Gly Ser
Arg Ala Gly Ser
Arg Ala Ser Gly
Arg Gly Ala Ser
Arg Gly Gly Thr
Arg Gly Ser Ala
Arg Gly Thr Gly
Arg Ser Ala Gly
Arg Ser Gly Ala
Arg Thr Gly Gly
Ser Ala Gly Arg
Ser Ala Arg Gly
Ser Gly Ala Arg
Ser Gly Lys Val
Ser Gly Arg Ala
Ser Gly Val Lys
Ser Lys Gly Val
Ser Lys Val Gly
Ser Arg Ala Gly
Ser Arg Gly Ala
Ser Val Gly Lys
Ser Val Lys Gly
Thr Ala Ala Lys
Thr Ala Lys Ala
Thr Gly Gly Arg
Thr Gly Arg Gly
Thr Lys Ala Ala
Thr Arg Gly Gly
Val Gly Lys Ser
Val Gly Ser Lys
Val Lys Gly Ser
Val Lys Ser Gly
Val Ser Gly Lys
Val Ser Lys Gly
TERT-BUTYL 4-(2-ETHOXY-2-OXOETHYL)SPIRO[CHROMAN-2,4-PIPERIDINE]-1-CARBOXYLATE
Proadifen hydrochloride
C471 - Enzyme Inhibitor > C29574 - Nitric Oxide Synthase Inhibitor D004791 - Enzyme Inhibitors
1-Phenyl-8-[(1S,2S)-2-phenylcyclohexyl]-1,3,8-triazaspiro[4.5]decan-4-one
TRANS,TRANS- 4-CYANO-3,5-DIFLUORO-PHENYL 4-PROPYLBICYCLOHEXYL-4-CARBOXYLATE
TERT-BUTYL 4-(4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE-1-CARBOXYLATE
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-pentyl-
Urea, N-cyclopropyl-N-[(1,2-dihydro-6-methyl-2-oxo-3-quinolinyl)methyl]-N-[4-(1-methylethyl)phenyl]- (9CI)
1-[4-(2-dimethylamino-ethoxy)phenyl]-1,2-diphenyl-1-butanol
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-pentyl-, (aS,4S)- (9CI)
Methylrosaniline
G - Genito urinary system and sex hormones > G01 - Gynecological antiinfectives and antiseptics > G01A - Antiinfectives and antiseptics, excl. combinations with corticosteroids D - Dermatologicals > D01 - Antifungals for dermatological use > D01A - Antifungals for topical use
Azepino[4,5-b]indole-5-carboxylic acid, 1,2,3,6-tetrahydro-1,1-dimethyl-9-[(phenylmethyl)amino]-, ethyl ester
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-pentyl-, (aR,4R)- (9CI)
1-[4-[2-(diethylamino)ethoxy]phenyl]-1,2-diphenylethanol
2-({2-[4-(1H-Indazol-3-yl)-1-piperazinyl]ethyl}amino)-4(3H)-quina zolinone
(2R)-2-[4-[(4-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-N-pentan-3-ylpyrrolidine-1-carboxamide
6-(4-Boc-1-piperazinyl)pyridine-3-boronic acid pinacol ester
(R)-Methyl 2-(2-((tert-butoxycarbonyl)amino)-2-Methylpropanamido)-3-(1H-indol-3-yl)propanoate
dodecyl 2-acetamido-2-deoxy-beta-d-glucopyranoside
3-Pyridinemethanol, 4-(4-fluoro-2-hydroxyphenyl)-a-methyl-2,6-bis(1-methylethyl)-5-pentyl-, (aR,4S)-rel- (9CI)
(R)-2-(2-((TERT-BUTOXYCARBONYL)AMINO)-2-METHYLPROPANAMIDO)-3-(1H-INDOL-3-YL)PROPANOIC ACID
(1-CBZ-PIPERIDIN-4-YL-AZETIDIN-3-YL)-CARBAMIC ACID TERT-BUTYL ESTER
2-(4-(tert-Butoxycarbonyl)piperazin-1-yl)pyridine-3-boronic acid pinacol ester
benzyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidin-1-yl]piperidine-1-carboxylate
Levomethadyl acetate hydrochloride
D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants > D009294 - Narcotics D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C78272 - Agent Affecting Nervous System > C67413 - Opioid Receptor Agonist D002491 - Central Nervous System Agents > D000700 - Analgesics
Dalcetrapib
D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents > D000924 - Anticholesteremic Agents C78276 - Agent Affecting Digestive System or Metabolism > C29703 - Antilipidemic Agent COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials D009676 - Noxae > D000963 - Antimetabolites Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dalcetrapib (JTT-705) is an orally active cholesteryl ester transfer protein (CETP) inhibitor with IC50s of 204.6 nM and 6 μM against recombinant human (rh) CETP and human plasma CETP, respectively[1][2].
7-Oxolithocholate
A bile acid anion that is the conjugate base of 7-oxolithocholic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
12alpha-Hydroxy-3-oxo-5beta-cholan-24-Oate
A bile acid anion that is the conjugate base of 12alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
7alpha-Hydroxy-3-oxo-5beta-cholan-24-Oate
A bile acid anion that is the conjugate base of 7alpha-hydroxy-3-oxo-5beta-cholan-24-oic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(2S,3S,5R,6S,9R,11S,12R,15R,17S)-5-hydroxy-6-(hydroxymethyl)-3,7,11,15-tetramethyl-4-oxa-7-azapentacyclo[9.8.0.02,9.05,9.012,17]nonadec-18-ene-8,10-dione
(2S,3R)-3-Butan-2-yl-N-hydroxy-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]-2-prop-2-enylbutanediamide
N-[2-(3-fluorophenyl)-5-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-N,N-dimethylpropane-1,3-diamine
3-Hydroxy-1-adamantanecarboxylic acid [2-[1-(2-methoxyethyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
2-(methylamino)-N-[3-methyl-1-oxo-1-[2-[oxo-(phenylhydrazo)methyl]-1-pyrrolidinyl]butan-2-yl]propanamide
4-hydroxy-6,7-dimethoxy-2-oxo-N-[3-(1-piperidinyl)propyl]-1H-quinoline-3-carboxamide
2-[(2R,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
2-[(2S,4aS,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2R,3S)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3S)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3R,6S)-6-[2-[[cyclohexyl(oxo)methyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3R,6R)-6-[2-[[cyclohexyl(oxo)methyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3S,6S)-6-[2-[[cyclohexyl(oxo)methyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[(2S,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
N-[(2R,3R,6S)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
2-[(2S,4aR,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
2-[(2R,4aR,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
2-[(2R,4aS,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
N-[(2R,3R)-2-[(dimethylamino)methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
N-[(2S,3R)-2-[(dimethylamino)methyl]-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclopropanecarboxamide
(2S,3R)-2-[[cyclopropylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one
N-[(2S,3R)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2S,3S)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-6-oxo-2,3,4,7-tetrahydro-1,5-benzoxazonin-9-yl]cyclopropanecarboxamide
N-[(2R,3S,6R)-6-[2-[[cyclohexyl(oxo)methyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3R,6R)-6-[2-[[cyclohexyl(oxo)methyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3S,6S)-6-[2-[[cyclohexyl(oxo)methyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2R,3R,6S)-6-[2-[[cyclohexyl(oxo)methyl]amino]ethyl]-2-(hydroxymethyl)-3-oxanyl]-2-pyridinecarboxamide
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-oxanecarboxamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-(2,3-dihydro-1H-inden-2-yl)-2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[[oxo-(propan-2-ylamino)methyl]amino]-2-oxanyl]acetamide
N-[(2S,3S,6R)-6-[2-(cyclohexylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3-oxanyl]-4-pyridinecarboxamide
N-[[(2R,3R,4R)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-(4-morpholinyl)acetamide
N-[[(2R,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-(4-morpholinyl)acetamide
N-[[(2S,3S,4S)-4-(hydroxymethyl)-1-(1-oxopropyl)-3-phenyl-2-azetidinyl]methyl]-N-methyl-2-(4-morpholinyl)acetamide
2-[(2R,4aR,12aS)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
2-[(2S,4aS,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
2-[(2S,4aR,12aR)-8-acetamido-5-methyl-6-oxo-2,3,4,4a,12,12a-hexahydropyrano[2,3-c][1,5]benzoxazocin-2-yl]-N-ethylacetamide
[(3aR,4S,9bR)-8-(1-cyclohexenyl)-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-(3-pyridinyl)methanone
(1R,5S)-N-cyclohexyl-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide
(3R)-14-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxytetradecanoate
(3R,13R)-13-[(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3-hydroxytetradecanoate
(3E)-3-[[2-(2-methylbut-3-en-2-yl)-5-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
(3E)-3-[[2-(2-methylbut-3-en-2-yl)-7-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione
4-(2-Hexanoyloxy-3-propanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
4-(3-Butanoyloxy-2-pentanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
4-(3-Acetyloxy-2-heptanoyloxypropoxy)-2-(trimethylazaniumyl)butanoate
Cilazaprilat
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
digoxigenin(1-)
An organic anion that is the conjugate base of digoxigenin resulting from the deprotonation of the furanone moiety; major species at pH 7.3.
Antihistamine-1
Antihistamine-1 is a H1-antihistamine (Ki=6.9 nM) with acceptable blood-brain barrier penetration and also an inhibitor of CYP2D6 and hERG channel with IC50s of 5.4 and 0.8 μM, respectively.
(5r)-3-methyl-5-[(1s,2r,3s,4s,6r,11s)-3-methyl-11-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-5-oxa-10-azatricyclo[8.3.0.0²,⁶]tridecan-4-yl]-5h-furan-2-one
(1's,3r,5'r,6s,11's,12's)-6-hydroxy-6-isopropyl-3'-methyl-3'-azaspiro[oxane-3,15'-tetracyclo[6.5.1.1¹,⁵.0¹¹,¹⁴]pentadecan]-8'(14')-ene-12'-carboxylic acid
(3r,9r,10s,11r,14r,15r)-10-ethyl-9-hydroxy-14-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadec-1(16)-en-13-one
(1s,3s,10r,11r,14s,15r)-10-ethyl-1-hydroxy-14-methyl-3-[(2s,4s)-4-methyl-5-oxooxolan-2-yl]-12-oxa-4-azatetracyclo[7.6.1.0⁴,¹⁶.0¹¹,¹⁵]hexadec-9(16)-en-13-one
5-hydroxy-3-{[5-(3-methylbut-2-en-1-yl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-6-methylidene-1h-pyrazin-2-one
4,5,16,17-tetramethoxy-11-methyl-11-azatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-1(18),2,4,14-tetraen-3-ol
(2e,4e,6s,7r,9s,10r)-12-(4-aminophenyl)-10-hydroxy-6-[(1s)-1-hydroxyethyl]-7,9-dimethyl-12-oxododeca-2,4-dienoic acid
albovionitine
{"Ingredient_id": "HBIN015091","Ingredient_name": "albovionitine","Alias": "NA","Ingredient_formula": "C23H35NO4","Ingredient_Smile": "NA","Ingredient_weight": "389.53","OB_score": "NA","CAS_id": "138935-81-6","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7048","PubChem_id": "NA","DrugBank_id": "NA"}