Exact Mass: 373.1745
Exact Mass Matches: 373.1745
Found 500 metabolites which its exact mass value is equals to given mass value 373.1745,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Endoxifen
Endoxifen (EDX) is a key active metabolite of tamoxifen (TAM) with higher affinity and specificity to estrogen receptors that also inhibits aromatase activity. (PMID: 23274567) Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia) The pharmacological activity of Tamoxifen is dependent on its conversion to its active metabolite, endoxifen, by CYP2D6. (PMID: 23711794) Tamoxifen is a largely inactive pro-drug, requiring metabolism into its most important metabolite endoxifen. Since the cytochrome P450 (CYP) 2D6 enzyme is primarily involved in this metabolism, genetic polymorphisms of this enzyme, but also drug-induced CYP2D6 inhibition can result in considerably reduced endoxifen formation and as a consequence may affect the efficacy of tamoxifen treatment. (PMID: 23760858)
alpha-Hydroxy-N-desmethyltamoxifen
alpha-Hydroxy-N-desmethyltamoxifen is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
Autumnaline
(S)-Autumnaline is an isoquinoline alkaloid. (S)-autumnaline has been reported in Colchicum autumnale, Colchicum ritchii Autumnaline is a natural organic compound classified as a protoberberine alkaloid, which is a subset of the larger category of alkaloids. It is primarily derived from plants, particularly those of the Colchicum genus, including Colchicum autumnale. This compound shares structural similarities with other alkaloids, such as colchicine, and is known for its potential biological activities. The biological functions of autumnaline are not as extensively studied as those of colchicine, but research suggests it may have several notable effects: Cytotoxic Properties: Like many alkaloids, autumnaline exhibits cytotoxicity, meaning it has the ability to damage or inhibit the growth of cells. This property could be exploited in cancer research, as cytotoxic compounds are often investigated for their potential to Inhibit tumor growth. Antioxidant Activity: Some studies have indicated that autumnaline may possess antioxidant properties. Antioxidants are important in protecting cells from damage caused by reactive oxygen species, which are implicated in various diseases and aging processes. Anti-inflammatory Effects: There is emerging evidence suggesting that certain alkaloids, including some protoberberine alkaloids, may have anti-inflammatory effects. This could be significant in the context of treating inflammatory conditions. Potential Medicinal Uses: Due to its complex structure and biological activities, autumnaline could be of interest for medicinal purposes. However, further research is needed to fully understand its potential therapeutic applications, as well as its safety and efficacy. (1S)-1,2,3,4-Tetrahydro-1-[2-(3-hydroxy-4,5-dimethoxyphenyl)ethyl]-6-methoxy-2-methyl-7-isoquinolinol. CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. https://commonchemistry.cas.org/detail?cas_rn=23068-65-7 (retrieved 2024-10-11) (CAS RN: 23068-65-7). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).
Spirotetramat
D010575 - Pesticides > D007306 - Insecticides D016573 - Agrochemicals CONFIDENCE standard compound; INTERNAL_ID 686; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9268; ORIGINAL_PRECURSOR_SCAN_NO 9267 CONFIDENCE standard compound; INTERNAL_ID 686; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9334; ORIGINAL_PRECURSOR_SCAN_NO 9333 CONFIDENCE standard compound; INTERNAL_ID 686; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9232; ORIGINAL_PRECURSOR_SCAN_NO 9231 CONFIDENCE standard compound; INTERNAL_ID 686; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9326; ORIGINAL_PRECURSOR_SCAN_NO 9325 CONFIDENCE standard compound; INTERNAL_ID 686; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9276; ORIGINAL_PRECURSOR_SCAN_NO 9275 CONFIDENCE standard compound; INTERNAL_ID 686; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9319; ORIGINAL_PRECURSOR_SCAN_NO 9318
Olopatadine Hydrochloride
D018377 - Neurotransmitter Agents > D018494 - Histamine Agents > D006633 - Histamine Antagonists D018373 - Peripheral Nervous System Agents > D018689 - Sensory System Agents C308 - Immunotherapeutic Agent > C29578 - Histamine-1 Receptor Antagonist D002491 - Central Nervous System Agents > D000700 - Analgesics D000893 - Anti-Inflammatory Agents D018501 - Antirheumatic Agents D018926 - Anti-Allergic Agents Olopatadine hydrochloride (ALO4943A) is a histamine blocker used to treat allergic conjunctivitis. Target: Histamine Receptor Olopatadine hydrochloride (ALO4943A) is one of the second-generation histamine H1 receptor antagonists that are treated for allergic disorders. Olopatadine hydrochloride (ALO4943A) significantly inhibited the ear swelling and the increased production of IL-4, IL-1beta, IL-6, GM-CSF and NGF in the lesioned ear [1]. Olopatadine hydrochloride (ALO4943A) was highly and rapidly absorbed in healthy human volunteers. The urinary excretion of Olopatadine hydrochloride (ALO4943A) accounted for not less than 58\% and the contribution of metabolism was considerably low in the clearance of olopatadine in humans. Olopatadine hydrochloride (ALO4943A) is one of the few renal clearance drugs in antiallergic drugs. Olopatadine hydrochloride (ALO4943A) was shown to be useful for the treatment of allergic rhinitis and chronic urticaria in double-blind clinical trials [2]. Olopatadine hydrochloride (ALO4943A) inhibits histamine release in a concentration-dependent fashion (IC50 = 559 microM) from human conjunctival mast cell preparations in vitro. Passive anaphylaxis in guinea pig conjunctiva was attenuated by Olopatadine hydrochloride (ALO4943A) applied 30 min prior to intravenous or topical ocular antigen challenge (ED50 values 0.0067\% and 0.0170\%, w/v, respectively) [3].
N-Jasmonoyltyrosine
N-Jasmonoyltyrosine is found in pulses. N-Jasmonoyltyrosine is a constituent of the flowers of Vicia faba. Constituent of the flowers of Vicia faba. N-Jasmonoyltyrosine is found in pulses.
alpha-Hydroxy-N-desmethyl-tamoxifen
alpha-Hydroxy-N-desmethyl-tamoxifen is a metabolite of tamoxifen. Tamoxifen is an antagonist of the estrogen receptor in breast tissue via its active metabolite, hydroxytamoxifen. In other tissues such as the endometrium, it behaves as an agonist, and thus may be characterized as a mixed agonist/antagonist. Tamoxifen is the usual endocrine therapy for hormone receptor-positive breast cancer in pre-menopausal women, and is also a standard in post-menopausal women although aromatase inhibitors are also frequently used in that setting. (Wikipedia)
(1-(5-Fluoropentyl)-1H-indol-3-yl)(4-methylnaphthalen-1-yl)methanone
(2,3-Dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol
2-Hydroxy-3-methoxy-6beta-naltrexol
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
Clebopride
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
(2s,5s)-2-Methyl-5-(4-(5-methyl-2-(p-tolyl)oxazol-4-yl)butyl)-1,3-dioxane-2-carboxylic acid
Ritobegron
diethyl 4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethylpyridine-3,5-dicarboxylate
(1-(5-Fluoropentyl)-1H-indol-3-yl)(4-methylnaphthalen-1-yl)methanone
pyrrole-2-carboxylic acid 13-hydroxy-11-oxo-dodecahydro-7,14-methano-dipyrido[1,2-a;1,2-e][1,5]diazocin-2-yl ester
(E)-N-(4-hydroxy-3,5-dimethoxyphenethyl)-3-(4-hydroxy-3-methoxyphenyl)acrylamide|hibiscusamide
6,7-dimethoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinoline
2,3-methanediyldioxy-4,6beta-dimethoxy-17-methyl-10a-homo-morphin-8(14)-en-7beta-ol|Alkaloid CC-2|alkaloid CC-2 (Colchicum cornigerum)
(2Z)-5-{[(2E,4E,6E)-7-(2-thienyl)-2,4,6-heptatrienoyl]amino}-2-pentenyl 3-methylbutanoate
ent-4,5alpha-epoxy-2,3,6beta-trimethoxy-17-methyl-10a-homo-morphin-8(14)-en-7beta-ol|Kreysiginin|Kreysiginine
Cystodytin E
An alkaloid that is an enamide obtained by the formal condensation of tiglic acid with 6-(2-amino-1-hydroxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells
(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-yliden)-amin|(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-pyrazol-4-yliden)-amine|1,5,5-trimethyl-2,2-diphenyl-1,2,2,4-tetrahydro-4,4-azanylylidene-bis-pyrazol-3-one|Methylrubazonsaeure
Cystodytin D
An alkaloid that is an enamide obtained by the formal condensation of 3-methylbut-2-enoic acid with 6-(2-amino-1-hydroxyethyl)-4H-pyrido[2,3,4-kl]acridin-4-one. It is isolated from the Okinawan marine tunicate Cystodytes dellechiajei and exhibits cytotoxicity against human epidermoid carcinoma KB cells.
Zoolobelin
Lobeline (α-Lobeline) hydrochloride is a brain-penetrant nicotinic receptor agonist. Lobeline hydrochloride increases dopamine (DA) release by inhibiting DA uptake into synaptic vesicles, and altering presynaptic DA storage. Lobeline hydrochloride is effective in smoking cessation[1][2]. Lobeline hydrochloride, a nicotinic receptor agonist, acting as a potent antagonist at both α3β2 and α4β2 neuronal nicotinic receptor subtypes.
Volinanserin
CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7066; ORIGINAL_PRECURSOR_SCAN_NO 7062 D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D012702 - Serotonin Antagonists C78272 - Agent Affecting Nervous System > C66885 - Serotonin Antagonist CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7133; ORIGINAL_PRECURSOR_SCAN_NO 7131 CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7168; ORIGINAL_PRECURSOR_SCAN_NO 7167 CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7181; ORIGINAL_PRECURSOR_SCAN_NO 7180 CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX501; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7111; ORIGINAL_PRECURSOR_SCAN_NO 7109 CONFIDENCE standard compound; INTERNAL_ID 893; DATASET 20200303_ENTACT_RP_MIX508; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7184; ORIGINAL_PRECURSOR_SCAN_NO 7181 Volinanserin is a potent and selective antagonist of 5-HT2 receptor, with a Ki of 0.36 nM, and shows 300-fold selectivity for 5-HT2 receptor over 5-HT1c, alpha-1 and DA D2 receptors. Volinanserin has antipsychotic activity.
Ala Ala Asn Val
Ala Ala Val Asn
Ala Gly Ile Asn
Ala Gly Leu Asn
Ala Gly Asn Ile
Ala Gly Asn Leu
Ala Gly Gln Val
Ala Gly Val Gln
Ala Ile Gly Asn
Ala Ile Asn Gly
Ala Leu Gly Asn
Ala Leu Asn Gly
Ala Asn Ala Val
Ala Asn Gly Ile
Ala Asn Gly Leu
Ala Asn Ile Gly
Ala Asn Leu Gly
Ala Asn Val Ala
Ala Gln Gly Val
Ala Gln Val Gly
Ala Val Ala Asn
Ala Val Gly Gln
Ala Val Asn Ala
Ala Val Gln Gly
Gly Ala Ile Asn
Gly Ala Leu Asn
Gly Ala Asn Ile
Gly Ala Asn Leu
Gly Ala Gln Val
Gly Ala Val Gln
Gly Gly Ile Gln
Gly Gly Leu Gln
Gly Gly Gln Ile
Gly Gly Gln Leu
Gly Ile Ala Asn
Gly Ile Gly Gln
Gly Ile Asn Ala
Gly Ile Gln Gly
Gly Leu Ala Asn
Gly Leu Gly Gln
Gly Leu Asn Ala
Gly Leu Gln Gly
Gly Asn Ala Ile
Gly Asn Ala Leu
Gly Asn Ile Ala
Gly Asn Leu Ala
Gly Asn Pro Ser
Gly Asn Ser Pro
Gly Pro Asn Ser
Gly Pro Ser Asn
Gly Gln Ala Val
Gly Gln Gly Ile
Gly Gln Gly Leu
Gly Gln Ile Gly
Gly Gln Leu Gly
Gly Gln Val Ala
Gly Ser Asn Pro
Gly Ser Pro Asn
Gly Val Ala Gln
Gly Val Gln Ala
Ile Ala Gly Asn
Ile Ala Asn Gly
Ile Gly Ala Asn
Ile Gly Gly Gln
Ile Gly Asn Ala
Ile Gly Gln Gly
Ile Asn Ala Gly
Ile Asn Gly Ala
Ile Gln Gly Gly
Leu Ala Gly Asn
Leu Ala Asn Gly
Leu Gly Ala Asn
Leu Gly Gly Gln
Leu Gly Asn Ala
Leu Gly Gln Gly
Leu Asn Ala Gly
Leu Asn Gly Ala
Leu Gln Gly Gly
Asn Ala Ala Val
Asn Ala Gly Ile
Asn Ala Gly Leu
Asn Ala Ile Gly
Asn Ala Leu Gly
Asn Ala Val Ala
Asn Gly Ala Ile
Asn Gly Ala Leu
Asn Gly Ile Ala
Asn Gly Leu Ala
Asn Gly Pro Ser
Asn Gly Ser Pro
Asn Ile Ala Gly
Asn Ile Gly Ala
Asn Leu Ala Gly
Asn Leu Gly Ala
Asn Pro Gly Ser
Asn Pro Ser Gly
Asn Ser Gly Pro
Asn Ser Pro Gly
Asn Val Ala Ala
Pro Gly Asn Ser
Pro Gly Ser Asn
Pro Asn Gly Ser
Pro Asn Ser Gly
Pro Ser Gly Asn
Pro Ser Asn Gly
Gln Ala Gly Val
Gln Ala Val Gly
Gln Gly Ala Val
Gln Gly Gly Ile
Gln Gly Gly Leu
Gln Gly Ile Gly
Gln Gly Leu Gly
Gln Gly Val Ala
Gln Ile Gly Gly
Gln Leu Gly Gly
Gln Val Ala Gly
Gln Val Gly Ala
Ser Gly Asn Pro
Ser Gly Pro Asn
Ser Asn Gly Pro
Ser Asn Pro Gly
Ser Pro Gly Asn
Ser Pro Asn Gly
Val Ala Ala Asn
Val Ala Gly Gln
Val Ala Asn Ala
Val Ala Gln Gly
Val Gly Ala Gln
Val Gly Gln Ala
Val Asn Ala Ala
Val Gln Ala Gly
Val Gln Gly Ala
Clebopride
A - Alimentary tract and metabolism > A03 - Drugs for functional gastrointestinal disorders > A03F - Propulsives > A03FA - Propulsives D018373 - Peripheral Nervous System Agents > D001337 - Autonomic Agents C78272 - Agent Affecting Nervous System > C66883 - Dopamine Antagonist D005765 - Gastrointestinal Agents > D000932 - Antiemetics D002491 - Central Nervous System Agents
N-Jasmonoyltyrosine
2-[(1-Acetyl-2-oxopropyl)thio]-N-cyclohexyl-1H-benzimidazole-1-carboxamide
alpha-Hydroxy-alpha-phenylbenzeneacetic acid (3-endo)-8-azabicyclo[3.2.1]oct-3-yl ester hydrochloride
1,1-DIPHENYL-3-(PIPERIDIN-1-YL)PROPYL METHANESULFONATE
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-cyanophenyl)-N-cyclopentyl- (9CI)
3,3-bis(4-hydroxy-3,5-dimethylphenyl)-1H-indol-2-one
Sepimostat
D004791 - Enzyme Inhibitors > D011480 - Protease Inhibitors C471 - Enzyme Inhibitor > C783 - Protease Inhibitor Sepimostat (FUT-187 free base) exhibits neuroprotective activity via NR2B N-methyl-D-aspartate receptor antagonism at the Ifenprodil-binding site of the NR2B subunit. Sepimostat inhibits the Ifenprodil binding with a Ki value of 27.7?μM[1].
3-N-BOC-AMINO-1-[2-AMINO-1-(4-TRIFLUOROMETHYL-PHENYL)-ETHYL]-PYRROLIDINE
4-(P-TOLUENESULFONYLAMINO)PHENYLBORONIC ACID PINACOL ESTER
Urea, N-[2-(1H-benzimidazol-2-yl)ethyl]-N-(4-cyanophenyl)-N-cyclopentyl- (9CI)
5-[bis(1-isocyanato-1-cyclohexa-2,4-dienyl)methyl]-5-isocyanato-cyclohexa-1,3-diene
amineptine hydrochloride
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
N-(5-CHLORO-3-((4-(DIETHYLAMINO)-2-METHYLPHENYL)IMINO)-4-METHYL-6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ACETAMIDE
Urea, N-[2-[(3-cyano-6,8-dimethyl-2-quinolinyl)amino]ethyl]-N-(phenylmethyl)- (9CI)
N-(3,4,6-TRI-O-ACETYL-β-D-GLUCOPYRANOSYL) PIPERIDINE
2-[2-[4-(1H-Indol-3-yl)-1-piperidinyl]ethyl]-1H-isoindole-1,3(2H)-dione
4-methyl-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
(3-BOC-AMINO-AZETIDIN-1-YL)-NAPHTHALEN-2-YL-ACETICACID
1-BOC-4-[CARBOXY-(1H-INDOL-2-YL)-METHYL]-[1,4]DIAZEPANE
2-amino-1-[3-(hydroxymethyl)cyclobutyl]-4-(3-phenylmethoxyphenyl)pyrrole-3-carbonitrile
Benzyl 4-(4-(2,3-dihydroxypropoxy)-phenyl)butylcarbamate
3-(Toluene-4-sulfonylaMino)phenylboronic acid, pinacol ester
tert-Butyl 2-(2-(3-(trifluoromethyl)phenoxy)ethyl)piperidine-1-carboxylate
tert-Butyl 5-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
tert-butyl 4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazine-1-carboxylate
1H-Benzimidazole,2-[1-[[1-(phenylmethyl)-1H-tetrazol-5-yl]methyl]-4-piperidinyl]-(9CI)
4-O-benzyl 2-O-ethyl 3-(2-ethoxy-2-oxoethyl)-5-methyl-1H-pyrrole-2,4-dicarboxylate
S1RA hydrochloride
S1RA (E-52862) hydrochloride is an orally active and selective sigma-1 receptor (σ1R) antagonist with a Ki value of 17 nM. S1RA hydrochloride shows good selectivity against σ2R (Ki >1000 nM). S1RA hydrochloride is a human 5-HT2B receptor antagonist with an IC50 value of 4.7 μM. S1RA hydrochloride inhibits neuropathic pain and activity-induced spinal sensitization[1][2].
tert-Butyl 7-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
tert-Butyl 6-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-1-carboxylate
(2S,4R)-1-(TERT-BUTOXYCARBONYL)-4-(4-(TRIFLUOROMETHYL)BENZYL)PYRROLIDINE-2-CARBOXYLIC ACID
(4s)-(-)-4,5-dihydro-2-[2-(diphenylphosphino)phenyl]-4-isopropyloxazole
(R)-(+)-2-[2-(Diphenylphosphino)phenyl]-4-isopropyl-2-oxazoline
TERT-BUTYL 5-(6-HYDROXYNAPHTHALEN-2-YL)-2,2-DIMETHYL-1,3-DIOXAN-5-YLCARBAMATE
Ritobegron
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C87053 - Adrenergic Agonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D000322 - Adrenergic Agonists
Proroxan hydrochloride
C78272 - Agent Affecting Nervous System > C29747 - Adrenergic Agent > C72900 - Adrenergic Antagonist D018377 - Neurotransmitter Agents > D018663 - Adrenergic Agents > D018674 - Adrenergic Antagonists D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs
2-methyl-5-[4-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]butyl]-1,3-dioxane-2-carboxylic Acid
5-(3-((1-amino-3,3-dimethyl-1-oxobutan-2-yl)carbamoyl)-1H-indol-1-yl)pentanoicacid
[1-acetyl-3,6-bis(tert-butylsulfanyl)-4-methyl-3,6-dihydro-2H-pyridin-2-yl] acetate
6-[(Z)-Amino(imino)methyl]-N-[3-(cyclopentyloxy)phenyl]-2-naphthamide
(1E)-5-(1-piperidin-4-yl-3-pyridin-4-yl-1H-pyrazol-4-yl)-2,3-dihydro-1H-inden-1-one oxime
N-{(3s,4s)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N-(4-Chlorobenzyl)ethane-1,2-Diamine
N-{(3r,4s)-4-[(6-Amino-4-Methylpyridin-2-Yl)methyl]pyrrolidin-3-Yl}-N-(3-Chlorobenzyl)ethane-1,2-Diamine
Lobeline hydrochloride
Lobeline (α-Lobeline) hydrochloride is a brain-penetrant nicotinic receptor agonist. Lobeline hydrochloride increases dopamine (DA) release by inhibiting DA uptake into synaptic vesicles, and altering presynaptic DA storage. Lobeline hydrochloride is effective in smoking cessation[1][2]. Lobeline hydrochloride, a nicotinic receptor agonist, acting as a potent antagonist at both α3β2 and α4β2 neuronal nicotinic receptor subtypes.
3-(3,4-Dimethoxyphenyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine
(10S,12R)-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.02,10.04,9.015,20]henicosa-4,6,8,15,17,19-hexaene-13,21-dione
(2R,4E)-2-amino-5-({[(2S,3R)-2-hydroxy-3-(1H-indol-3-yl)butanamido]methanimidoyl}amino)pent-4-enoate
(E,2S)-2-amino-5-[[amino-[[(2S,3R)-2-hydroxy-3-(1H-indol-3-yl)butanoyl]amino]methylidene]amino]pent-4-enoic acid
(2S)-2-[[2-[(1R,2S)-2-[(Z)-5-hydroxypent-2-enyl]-3-oxocyclopentyl]acetyl]amino]-3-phenylpropanoic acid
6-methyl-2-[[(4-methylanilino)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid ethyl ester
Survector
D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents
4-(4-methoxycarbonylphenyl)-1,2,6-trimethyl-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
1,3-diethyl-6-methyl-N-(2-methylphenyl)-2-oxo-5-benzimidazolesulfonamide
4-(3-hydroxyphenyl)-1-(2-oxolanylmethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
1-[Tert-butyl-[(3,5-dimethylphenyl)-oxomethyl]amino]-3-(4-chlorophenyl)urea
N-[(2-hydroxy-1-naphthalenyl)-(4-methylphenyl)methyl]cyclohexanecarboxamide
8-oxoresolvin D1(1-)
A polyunsaturated fatty acid anion that is the conjugate base of 8-oxoresolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
3-methyl-N-{4-[(4-methyl-1-piperazinyl)sulfonyl]phenyl}benzamide
17-oxoresolvin D1(1-)
A polyunsaturated fatty acid that is the conjugate base of 17-oxoresolvin D1, obtained by deprotonation of the carboxy group; major species at pH 7.3.
10-Methyl-3-(2-phenylethyl)-2-propan-2-ylpyrimido[4,5-b]quinoline-4,5-dione
(3aR)-10,10-dimethyl-2-(4-methylbenzyl)-4,9-dihydro-3aH-imidazo[1,5-b]-carboline-1,3-quinone
5-[1-[(3,5-Dimethoxyphenyl)methylamino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
4-[[3-oxo-2-(3-pyridinyl)-1H-isoindol-1-yl]amino]benzoic acid ethyl ester
N-[2-(4-methoxyphenoxy)ethyl]-5-(4-morpholinyl)-2-nitroaniline
butyl 4-[5-[(E)-(ethylcarbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
2-Phenylbutanoic acid [2-oxo-2-(2-phenylanilino)ethyl] ester
4-[3-(1,3-Benzodioxol-5-ylmethylamino)-7-methyl-2-imidazo[1,2-a]pyridinyl]phenol
1-(4-chlorophenyl)-N-(2-furanylmethyl)-N-[[1-(2-methylbutan-2-yl)-5-tetrazolyl]methyl]methanamine
6-[[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]methyl]-N2,N2-dimethyl-1,3,5-triazine-2,4-diamine
(15S)-10,10-Dimethyl-13-[(4-methylphenyl)methyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
(15R)-10,10-Dimethyl-13-[(3-methylphenyl)methyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
(15S)-10,10-Dimethyl-13-[(3-methylphenyl)methyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
(15S)-10,10-Dimethyl-13-[(2-methylphenyl)methyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
(15R)-10,10-Dimethyl-13-[(2-methylphenyl)methyl]-8,11,13-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraene-12,14-dione
(4E,8E)-10-(4,6-dihydroxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-4,8-dimethyldeca-4,8-dienoate
4-[2-[[1-(2-Oxolanylmethyl)-5-phenyl-2-imidazolyl]thio]ethyl]morpholine
N-[4-[2-methyl-4-(2-methylpropyl)-5-oxo-2-oxolanyl]-2-thiazolyl]benzohydrazide
2-[[(1R,5S)-7-[4-[(E)-2-phenylethenyl]phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methyl]-1,3-thiazole
(2R,3R,3aS,9bS)-3-(hydroxymethyl)-2-(piperidine-1-carbonyl)-1-propanoyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
3,5-dimethyl-4-[[(1R,5S)-7-[4-[(E)-prop-1-enyl]phenyl]-3,6-diazabicyclo[3.1.1]heptan-6-yl]sulfonyl]-1,2-oxazole
(4-fluorophenyl)-[(1R,5S)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
[(2S,3S)-6-methylsulfonyl-3-phenyl-1-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
(2R,3R,4S)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2S,3S,4R)-3-[4-(1-cyclohexenyl)phenyl]-4-(hydroxymethyl)-1-[oxo(2-pyridinyl)methyl]-2-azetidinecarbonitrile
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-2-[oxo(1-piperidinyl)methyl]-1-(1-oxopropyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizin-6-one
[(2S,3R)-1-methylsulfonyl-3-phenyl-6-(2-pyridinylmethyl)-1,6-diazaspiro[3.3]heptan-2-yl]methanol
(3Z)-3-[(E)-1-Hydroxy-2,4-dimethyloct-6-enylidene]-5-[hydroxy-(4-hydroxyphenyl)methyl]pyrrolidine-2,4-dione
2-[(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)diazenyl]-3-(2-methylphenyl)-3-oxopropanenitrile
7-oxoresolvin D2(1-)
A docosanoid anion that is the conjugate base of 7-oxoresolvin D2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
16-oxoresolvin D2(1-)
A docosanoid anion that is the conjugate base of 16-oxoresolvin D2, obtained by deprotonation of the carboxy group; major species at pH 7.3.
[1-(5-Fluoropentyl)-1H-indol-3-yl](4-methylnaphthalen-1-yl)methanone
NADPH oxidase-IN-1
NADPH oxidase-IN-1 is an orally active NADPH oxidase (Nox) inhibitor, related with neuronal inflammation. NADPH oxidase-IN-1 can cross the blood-brain barrier (BBB), inhibits Nox2 and Nox4 with IC50s of 1.9 μM and 2.47 μM, respectively. NADPH oxidase-IN-1 suppresses pro-inflammatory cytokines production and LPS-mediated microglial migration, also has in vivo efficacy[1].
Osavampator
Osavampator (TAK-653) is a AMPA receptor positive allosteric modulator. Osavampator selectively binds to AMPA-R in a glutamate-dependent manner and induces Ca2+ influx in hGluA1i CHO cells (EC50 = 3.3 μM). Osavampator improves learning and memory in many models. Osavampator is can be used for the research of depressive disorders[1][2]. Osavampator (TAK-653) is a AMPA receptor positive allosteric modulator. Osavampator selectively binds to AMPA-R in a glutamate-dependent manner and induces Ca2+ influx in hGluA1i CHO cells (EC50 = 3.3 μM). Osavampator improves learning and memory in many models. Osavampator is can be used for the research of depressive disorders[1][2].
5-hydroxy-4,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-16-yl acetate
(3s,6e,8r,12s,14s)-5,7,9-trihydroxy-8-methyl-13,16-dioxa-4-azatetracyclo[15.2.2.1³,⁶.0¹²,¹⁴]docosa-1(19),4,6,17,20-pentaen-22-one
4-hydroxy-5,17-dimethoxy-11-azatetracyclo[9.7.0.0¹,¹⁴.0²,⁷]octadeca-2(7),3,5,14-tetraen-16-yl acetate
(1r,9s,10s)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,12-tetraen-11-one
n-{6,13-dihydroxy-5,14,15-trimethoxytricyclo[9.4.0.0²,⁷]pentadeca-1(15),2,4,6,11,13-hexaen-8-yl}ethanimidic acid
(1s,11s,13s)-14,15-dimethoxy-20-methyl-5,7,21-trioxa-20-azahexacyclo[11.4.3.1¹¹,¹⁴.0¹,¹³.0²,¹⁰.0⁴,⁸]henicosa-2,4(8),9-trien-16-one
(3s,6s,11ar)-1,4-dihydroxy-3-[(4-hydroxyphenyl)methyl]-6-(2-methylpropyl)-3h,6h,9h,10h,11h,11ah-pyrrolo[1,2-a][1,4,7]triazonin-7-one
(1s,2r,4s,9s,10r)-3-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
(1s,9r,10r)-4,5,11,12-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
2-[4-(3-chloro-1h-pyrrol-2-yl)-3-methylbuta-1,3-dien-1-yl]-6-methoxy-3-methyl-5-(2-methylbut-3-en-2-yl)pyran-4-one
(1s,15r,17r,18s,19r)-18-(acetyloxy)-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹⁰.0⁴,⁸.0¹⁵,¹⁹]nonadeca-2,4(8),9-trien-17-yl acetate
(1s,13s,16s,17r)-16-(acetyloxy)-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9-trien-17-yl acetate
(1s,13s,15r,18r)-15-hydroxy-5,7-dioxa-12-azapentacyclo[10.5.2.0¹,¹³.0²,¹⁰.0⁴,⁸]nonadeca-2,4(8),9,16-tetraen-18-yl (3s)-3-hydroxybutanoate
(2s,4e)-5-hydroxy-2-[(s)-hydroxy(4-hydroxyphenyl)methyl]-4-[(2s,4s,6z)-1-hydroxy-2,4-dimethyloct-6-en-1-ylidene]-2h-pyrrol-3-one
(14r,16r)-14-hydroxy-16-isopropyl-15-oxa-2,12,18-triazahexacyclo[11.8.1.1¹⁴,¹⁸.0³,⁸.0⁹,²².0²¹,²³]tricosa-1,3(8),4,6,9(22),10,12,21(23)-octaen-17-one
4,5,11,12-tetramethoxy-17-methyl-17-azatetracyclo[7.5.3.0¹,¹⁰.0²,⁷]heptadeca-2,4,6,11-tetraen-13-one
(1s,12s,14r)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.0¹,¹².0⁶,¹⁷]heptadeca-6,8,10(17),15-tetraen-14-yl (3s)-3-hydroxybutanoate
[(1r,3r)-1-butyl-10-hydroxy-7-(methylamino)-6,9-dioxo-1h,3h,4h-naphtho[2,3-c]pyran-3-yl]acetic acid
9-(5-{[(1-hydroxy-3-methylbutylidene)amino]carbonyl}-4-oxopyran-2-yl)nona-2,4,8-trienoic acid
(2r,10s,12s)-13-hydroxy-10-(2-methylbut-3-en-2-yl)-1,3,14-triazapentacyclo[10.9.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-4,6,8,13,15,17,19-heptaen-21-one
(3s,6z,8r,9s,12s,14s)-5,7,9-trihydroxy-8-methyl-13,16-dioxa-4-azatetracyclo[15.2.2.1³,⁶.0¹²,¹⁴]docosa-1(19),4,6,17,20-pentaen-22-one
16-hydroxy-14-oxo-7,15-diazatetracyclo[7.7.1.0²,⁷.0¹⁰,¹⁵]heptadecan-4-yl 1h-pyrrole-2-carboxylate
16-oxoprometaphanine
{"Ingredient_id": "HBIN001950","Ingredient_name": "16-oxoprometaphanine","Alias": "NA","Ingredient_formula": "C20H23NO6","Ingredient_Smile": "CN1C(=O)CC23C1(CC(C4=C2C(=C(C=C4)OC)OC)O)C(=O)C(=CC3)OC","Ingredient_weight": "373.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16401","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "91895298","DrugBank_id": "NA"}
