Exact Mass: 443.15485440000003
Exact Mass Matches: 443.15485440000003
Found 445 metabolites which its exact mass value is equals to given mass value 443.15485440000003
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
propaquizafop
C22H22ClN3O5 (443.12479120000006)
CONFIDENCE standard compound; EAWAG_UCHEM_ID 122 Propaquizafop is a phenoxyisopropionic acid herbicide and an acetyl-coA carboxylase inhibitor[1][2].
Dihydrofolic acid
C19H21N7O6 (443.15532460000003)
Dihydrofolic acid is a folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division. It can be targeted with drug analogs to prevent nucleic acid synthesis. Dihydrofolic acid is also known by the name Dihydrofolate - more commonly Vitamin B9. [HMDB] Dihydrofolic acid is a folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division. It can be targeted with drug analogs to prevent nucleic acid synthesis. Dihydrofolic acid is also known by the name Dihydrofolate - more commonly Vitamin B9. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dihydrofolic acid is a folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid.
Fumiquinazoline C
C24H21N5O4 (443.15934660000005)
A fumiquinazoline obtained by oxidative spirocyclisation of fumiquinazoline A.
Thiothixene
Thiothixene is only found in individuals that have used or taken this drug. It is a thioxanthine used as an antipsychotic agent. Its effects are similar to the phenothiazine antipsychotics. [PubChem]Thiothixene acts as an antagonist (blocking agent) on different postsysnaptic receptors -on dopaminergic-receptors (subtypes D1, D2, D3 and D4 - different antipsychotic properties on productive and unproductive symptoms), on serotonergic-receptors (5-HT1 and 5-HT2, with anxiolytic, antidepressive and antiaggressive properties as well as an attenuation of extrapypramidal side-effects, but also leading to weight gain, fall in blood pressure, sedation and ejaculation difficulties), on histaminergic-receptors (H1-receptors, sedation, antiemesis, vertigo, fall in blood pressure and weight gain), alpha1/alpha2-receptors (antisympathomimetic properties, lowering of blood pressure, reflex tachycardia, vertigo, sedation, hypersalivation and incontinence as well as sexual dysfunction, but may also attenuate pseudoparkinsonism - controversial) and finally on muscarinic (cholinergic) M1/M2-receptors (causing anticholinergic symptoms like dry mouth, blurred vision, obstipation, difficulty/inability to urinate, sinus tachycardia, ECG-changes and loss of memory, but the anticholinergic action may attenuate extrapyramidal side-effects). D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent (Z)-Thiothixene is an antagonist of serotonergic receptor extracted from patent US 20150141345 A1.
3'-Azido-3'-deoxy-5'- O-beta-D-glucopyranuronosylthymidine
3-Azido-3-deoxy-5- O-beta-D-glucopyranuronosylthymidine is a metabolite of zidovudine. Zidovudine or azidothymidine (AZT) (also called ZDV) is a nucleoside analog reverse-transcriptase inhibitor (NRTI), a type of antiretroviral drug used for the successful treatment of HIV/AIDS infectiousness. It is a therapeutic analog of thymidine. AZT is the first U.S. government-approved treatment for HIV therapy, prescribed under the names Retrovir and Retrovis. (Wikipedia)
2-(4-(((2-Amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid
C19H21N7O6 (443.15532460000003)
8-AHA-cAMP
8-Aminohexylamino cAMP
Tetramethylrhodamine isothiocyanate
C25H21N3O3S (443.13035560000003)
D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D049408 - Luminescent Agents D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D012235 - Rhodamines D004396 - Coloring Agents > D005456 - Fluorescent Dyes
Clofluperol
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
Dathf
Fasidotril
C23H25NO6S (443.14025100000003)
Lucitanib
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
Pevonedistat
C21H25N5O4S (443.16271700000004)
(4-{2-[(4-Carbamimidoyl-benzoyl)-methyl-amino]-acetyl}-2-carboxymethoxy-phenoxy)-acetic acid
Zidovudine glucuronide
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
2-O-(2S-Amino-3R-hydroxybutanoyl)sucrose
C16H29NO13 (443.16388240000003)
L-Tyrosine benzyl ester 4-toluenesulfonate
C23H25NO6S (443.14025100000003)
(13S,14R)-13-O-acetyl-1,8-dihydroxy-N-methylcanadine
aristolactam F|aristolactam-AIIIa-6-O-beta-D-glucoside
1-Hydroxy-3-[(2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-yl)carbonyl]-4-hydroxy-5-(2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]heptane-2-yl)-2(1H)-pyridone
beta-D-fructofuranosyl-(2->1)-alpha-D-[2-O-L-threonyl]glucopyranoside
C16H29NO13 (443.16388240000003)
(2R)-N-(2phenylethyl)-N-methylcinnamamide2-O-beta-D-glucopyranoside
Nitrile,2-O-[beta-D-xylopyranosyl-(1鈥樏傗垎6)-beta-D-glucopyranoside]-2-Hydroxy-2-(3-hydroxyphenyl)acetic acid
C19H25NO11 (443.14275399999997)
1-{4-[(N-methyl-glycyl)-amino]-2-oxo-2H-pyrimidin-1-yl}-3-(seryl-amino)-beta-D-1,3-dideoxy-allopyranuronic acid amide|Gougerotin
CAY10622
Thiothixene
D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014150 - Antipsychotic Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D018377 - Neurotransmitter Agents > D015259 - Dopamine Agents > D018492 - Dopamine Antagonists D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants N - Nervous system > N05 - Psycholeptics > N05A - Antipsychotics > N05AF - Thioxanthene derivatives C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent (Z)-Thiothixene is an antagonist of serotonergic receptor extracted from patent US 20150141345 A1.
C24H21N5O4_2,17-Dimethyl-1,9a-dihydro-3H,16H-spiro[imidazo[1,2-a]indole-9,14-[13]oxa[2,10,17]triazatetracyclo[10.3.2.0~2,11~.0~4,9~]heptadeca[4,6,8,10]tetraene]-3,3,16(2H)-trione
C24H21N5O4 (443.15934660000005)
C24H21N5O4_(1S,3S,12S,14R,27S)-12-Hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1~2,5~.0~6,11~.0~12,27~.0~15,24~.0~17,22~]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione (Fumiquinazoline C)
C24H21N5O4 (443.15934660000005)
C24H21N5O4_(1S,3S,12S,14R,27S)-12-Hydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1~2,5~.0~6,11~.0~12,27~.0~15,24~.0~17,22~]heptacosa-6,8,10,17,19,21,23-heptaene-4,16,26-trione
C24H21N5O4 (443.15934660000005)
[IIN-based on: CCMSLIB00000845724]
C24H21N5O4 (443.15934660000005)
Dihydrofolate
C19H21N7O6 (443.15532460000003)
Dihydrofolic acid is a folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid.
Ala Cys His Asn
Ala Cys Asn His
Ala Glu Pro Gln
Ala Glu Gln Pro
Ala His Cys Asn
Ala His Asn Cys
Ala Asn Cys His
Ala Asn His Cys
Ala Pro Glu Gln
Ala Pro Gln Glu
Ala Gln Glu Pro
Ala Gln Pro Glu
Cys Ala His Asn
Cys Ala Asn His
Cys Gly His Lys
C17H29N7O5S (443.19507840000006)
Cys Gly His Gln
Cys Gly Lys His
C17H29N7O5S (443.19507840000006)
Cys Gly Gln His
Cys His Ala Asn
Cys His Gly Lys
C17H29N7O5S (443.19507840000006)
Cys His Gly Gln
Cys His Lys Gly
C17H29N7O5S (443.19507840000006)
Cys His Asn Ala
Cys His Gln Gly
Cys Lys Gly His
C17H29N7O5S (443.19507840000006)
Cys Lys His Gly
C17H29N7O5S (443.19507840000006)
Cys Asn Ala His
Cys Asn His Ala
Cys Pro Pro Gln
C18H29N5O6S (443.18384540000005)
Cys Pro Gln Pro
C18H29N5O6S (443.18384540000005)
Cys Gln Gly His
Cys Gln His Gly
Cys Gln Pro Pro
C18H29N5O6S (443.18384540000005)
Asp Asn Pro Val
Asp Asn Val Pro
Asp Pro Asn Val
Asp Pro Val Asn
Asp Val Asn Pro
Asp Val Pro Asn
Glu Ala Pro Gln
Glu Ala Gln Pro
Glu Pro Ala Gln
Glu Pro Gln Ala
Glu Gln Ala Pro
Glu Gln Pro Ala
Gly Cys His Lys
C17H29N7O5S (443.19507840000006)
Gly Cys His Gln
Gly Cys Lys His
C17H29N7O5S (443.19507840000006)
Gly Cys Gln His
Gly His Cys Lys
C17H29N7O5S (443.19507840000006)
Gly His Cys Gln
Gly His Lys Cys
C17H29N7O5S (443.19507840000006)
Gly His Gln Cys
Gly Lys Cys His
C17H29N7O5S (443.19507840000006)
Gly Lys His Cys
C17H29N7O5S (443.19507840000006)
Gly Gln Cys His
Gly Gln His Cys
His Ala Cys Asn
His Ala Asn Cys
His Cys Ala Asn
His Cys Gly Lys
C17H29N7O5S (443.19507840000006)
His Cys Gly Gln
His Cys Lys Gly
C17H29N7O5S (443.19507840000006)
His Cys Asn Ala
His Cys Gln Gly
His Gly Cys Lys
C17H29N7O5S (443.19507840000006)
His Gly Cys Gln
His Gly Lys Cys
C17H29N7O5S (443.19507840000006)
His Gly Gln Cys
His Lys Cys Gly
C17H29N7O5S (443.19507840000006)
His Lys Gly Cys
C17H29N7O5S (443.19507840000006)
His Asn Ala Cys
His Asn Cys Ala
His Asn Ser Ser
His Gln Cys Gly
His Gln Gly Cys
His Ser Asn Ser
His Ser Ser Asn
Lys Cys Gly His
C17H29N7O5S (443.19507840000006)
Lys Cys His Gly
C17H29N7O5S (443.19507840000006)
Lys Gly Cys His
C17H29N7O5S (443.19507840000006)
Lys Gly His Cys
C17H29N7O5S (443.19507840000006)
Lys His Cys Gly
C17H29N7O5S (443.19507840000006)
Lys His Gly Cys
C17H29N7O5S (443.19507840000006)
Asn Ala Cys His
Asn Ala His Cys
Asn Cys Ala His
Asn Cys His Ala
Asn Asp Pro Val
Asn Asp Val Pro
Asn His Ala Cys
Asn His Cys Ala
Asn His Ser Ser
Asn Pro Asp Val
Asn Pro Val Asp
Asn Ser His Ser
Asn Ser Ser His
Asn Val Asp Pro
Asn Val Pro Asp
Pro Ala Glu Gln
Pro Ala Gln Glu
Pro Cys Pro Gln
C18H29N5O6S (443.18384540000005)
Pro Cys Gln Pro
C18H29N5O6S (443.18384540000005)
Pro Asp Asn Val
Pro Asp Val Asn
Pro Glu Ala Gln
Pro Glu Gln Ala
Pro Asn Asp Val
Pro Asn Val Asp
Pro Pro Cys Gln
C18H29N5O6S (443.18384540000005)
Pro Pro Gln Cys
C18H29N5O6S (443.18384540000005)
Pro Gln Ala Glu
Pro Gln Cys Pro
C18H29N5O6S (443.18384540000005)
Pro Gln Glu Ala
Pro Gln Pro Cys
C18H29N5O6S (443.18384540000005)
Pro Val Asp Asn
Pro Val Asn Asp
Gln Ala Glu Pro
Gln Ala Pro Glu
Gln Cys Gly His
Gln Cys His Gly
Gln Cys Pro Pro
C18H29N5O6S (443.18384540000005)
Gln Glu Ala Pro
Gln Glu Pro Ala
Gln Gly Cys His
Gln Gly His Cys
Gln His Cys Gly
Gln His Gly Cys
Gln Pro Ala Glu
Gln Pro Cys Pro
C18H29N5O6S (443.18384540000005)
Gln Pro Glu Ala
Gln Pro Pro Cys
C18H29N5O6S (443.18384540000005)
Ser His Asn Ser
Ser His Ser Asn
Ser Asn His Ser
Ser Asn Ser His
Ser Ser His Asn
Ser Ser Asn His
Val Asp Asn Pro
Val Asp Pro Asn
Val Asn Asp Pro
Val Asn Pro Asp
Val Pro Asp Asn
Val Pro Asn Asp
Zidovudine glucuronide
D009676 - Noxae > D000963 - Antimetabolites > D015224 - Dideoxynucleosides
Met-Trp-OH
C21H21N3O6S (443.11510060000006)
2-[-N-(2-cyanoethyl)-4-[(p-nitrophenyl)azo]anilino]ethyl benzoate
C24H21N5O4 (443.15934660000005)
Lometrexol
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2692 - Glycinamide Ribonucleotide Formyltransferase Inhibitor D004791 - Enzyme Inhibitors > D005493 - Folic Acid Antagonists D009676 - Noxae > D000963 - Antimetabolites D000970 - Antineoplastic Agents
1H-Pyrazole-4-carboxamide, N-[5-[(cyclopropylamino)carbonyl]-2-Methylphenyl]-5-Methyl-1-[3-(trifluoromethyl)-2-pyridinyl]-
[3-(2-Chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl][4-(2-ethox yphenyl)-1-piperazinyl]methanone
C23H23ClFN3O3 (443.14118900000005)
Flumeridone
C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent
benzyl 2-amino-3-(4-hydroxyphenyl)propanoate,4-methylbenzenesulfonic acid
C23H25NO6S (443.14025100000003)
2-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-chloro-1,3,5-triazin-2-yl]amino]phenyl]azo]-p-cresol
(Z)-2-(2-Tritylaminothiazol-4-yl)-2-methoxyiminoacetic acid
C25H21N3O3S (443.13035560000003)
Tetramethylrhodamine-5-isothiocyanate
C25H21N3O3S (443.13035560000003)
5-Deoxy-5-fluoro-N-[(pentyloxy)carbonyl]cytidine 2,3-diacetate
[2-(benzylcarbamoyl)-4-(2,4-difluorophenyl)phenyl] benzoate
C27H19F2NO3 (443.13329280000005)
[4-(2,4-difluorophenyl)-2-[(2-methylphenyl)carbamoyl]phenyl] benzoate
C27H19F2NO3 (443.13329280000005)
[4-(2,4-difluorophenyl)-2-[(3-methylphenyl)carbamoyl]phenyl] benzoate
C27H19F2NO3 (443.13329280000005)
[4-(2,4-difluorophenyl)-2-[(4-methylphenyl)carbamoyl]phenyl] benzoate
C27H19F2NO3 (443.13329280000005)
fumoxicillin
C21H21N3O6S (443.11510060000006)
C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic
Pevonedistat
C21H25N5O4S (443.16271700000004)
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor D004791 - Enzyme Inhibitors
S 14506
C24H27ClFN3O2 (443.17757240000003)
S-14506 hydrochloride is a potent 5-HT1A agonist, as well as 5-HT2A/2C antagonist. S-14506 hydrochloride displays dopamine antagonist properties by blocking dopamine D2 receptors. S-14506 hydrochloride inhibits the in vivo binding of [3H]raclopride in striatum and olfactory bulbs. S-14506 hydrochloride has the potential for the research of anxiolytic agent[1][2][3].
1,5-dimethyl-3-[(2-methyl-1H-indol-3-yl)azo]-2-phenyl-1H-pyrazolium methyl sulphate
C21H25N5O4S (443.16271700000004)
1H-Indole-2-carboxamide, 5-chloro-N-((1S)-1-((4-fluorophenyl)methyl)-2-(4-hydroxy-1-piperidinyl)-2-oxoethyl)-
C23H23ClFN3O3 (443.14118900000005)
D004791 - Enzyme Inhibitors
N-[2-({[amino(Imino)methyl]amino}oxy)ethyl]-2-{6-Chloro-3-[(2,2-Difluoro-2-Phenylethyl)amino]-2-Fluorophenyl}acetamide
C19H21ClF3N5O2 (443.13357920000004)
N-(4-{2-[(6s)-2-Amino-4-Oxo-1,4,5,6,7,8-Hexahydropyrido[2,3-D]pyrimidin-6-Yl]ethyl}benzoyl)-L-Glutamic Acid
rac-3-hydroxy-N,N-dimethylcoclaurinium trifluoroacetate
A natural product found in Gnetum montanum.
(2S)-2-[(4-{[(2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl)methyl]amino}benzoyl)amino]pentanedioate
C19H21N7O6-2 (443.15532460000003)
COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
3-(2-chlorophenyl)-5-methyl-N-[3-(3-methyl-2-imidazo[1,2-a]pyrimidinyl)phenyl]-4-isoxazolecarboxamide
2-imino-1-[(4-methylphenyl)methyl]-5-oxo-N-(2-oxolanylmethyl)-3-dipyrido[1,2-d:3,4-f]pyrimidinecarboxamide
(2E,NZ)-N-(6-acetamido-3-(2-ethoxyethyl)benzo[d]thiazol-2(3H)-ylidene)-3-(2-chlorophenyl)acrylamide
C22H22ClN3O3S (443.10703320000005)
3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
2-(2-Chloro-4-Fluorophenoxy)-2-Methyl-N-[(1r,2s,3s,5s,7s)-5-(Methylsulfonyl)-2-Adamantyl]propanamide
C21H27ClFNO4S (443.1333264000001)
Lucitanib
C274 - Antineoplastic Agent > C1742 - Angiogenesis Inhibitor > C93259 - VEGFR Tyrosine Kinase Inhibitor C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C163953 - VEGFR-targeting Agent C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor
2,17-Dimethylspiro[13-oxa-2,10,17-triazatetracyclo[10.3.2.02,11.04,9]heptadeca-4,6,8,10-tetraene-14,4-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1,3,16-trione
C24H21N5O4 (443.15934660000005)
Ethyl-[10-(3-morpholin-4-ylpropanoyl)-5-oxophenothiazin-2-yl]carbamic acid
C22H25N3O5S (443.15148400000004)
(2S,3S,4S,5R)-6-[[(2S)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
(2s)-4-[{[(2s,3s,4r,5r)-5-(6-Amino-9h-Purin-9-Yl)-3,4-Dihydroxytetrahydrofuran-2-Yl]methyl}(Carboxylatomethyl)sulfonio]-2-Ammoniobutanoate
(6S)-5,6,7,8-tetrahydrofolate(2-)
C19H21N7O6-2 (443.15532460000003)
4-(5,6-dihydroxy-1H-indol-2-yl)-2-(5,6-dihydroxy-1H-indol-7-yl)-1H-indole-5,6-diol
2,4-bis(5,6-dihydroxy-1H-indol-2-yl)-1H-indole-5,6-diol
[3-Carboxy-2-[3-[(2-hydroxy-3,3-dimethyl-4-phosphonooxybutanoyl)amino]propanoyloxy]propyl]-trimethylazanium
Platensin A4
A polycyclic cage that is the 3-hydroxy derivative of platencin. It is isolated from Streptomyces platensis.
8-chloro-3-methyl-11-[1-(4-pyridylacetyl)piperidin-4-ylidene]-6,11-dihydro-5H-benzo[5,6]cyclohepta[1,2-b]pyridine
C27H26ClN3O (443.17642960000006)
N-(3-acetylphenyl)-2-[[6-chloro-3-(2-hydroxypropyl)-4-methyl-2-oxo-1-benzopyran-7-yl]oxy]acetamide
C23H22ClNO6 (443.11355820000006)
N-(3-chloro-4-fluorophenyl)-6-[4-(diethylaminomethyl)-1-piperidinyl]-4-pyrimido[5,4-d]pyrimidinamine
C22H27ClFN7 (443.20003840000004)
4-(Dimethylamino)benzoic acid 4-[[5-(1-naphthalenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester
C25H21N3O3S (443.13035560000003)
ethyl 2-[(4E)-4-[[4-(2-methoxy-2-oxoethoxy)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
C21H21N3O6S (443.11510060000006)
N-[5-methyl-2-(4-methylphenyl)-3-pyrazolyl]-2-[(7-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl)oxy]acetamide
N-(2,5-dimethylphenyl)-2-[[3-(4-ethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxy]acetamide
3-[7-(3,4-dimethoxyphenyl)-8-imino-7H-benzo[7,8]chromeno[2,3-d]pyrimidin-9(8H)-yl]propan-1-ol
N-(1,2-dihydroacenaphthylen-5-yl)-2-[[6-hydroxy-1-(4-methylphenyl)-4-oxo-2-pyrimidinyl]thio]acetamide
C25H21N3O3S (443.13035560000003)
Bis(1-ethenyl-2-imidazolyl)-(9-ethyl-3-carbazolyl)-sulfanylidenephosphorane
C24H22N5PS (443.13334620000006)
1-[4-Ethoxy-3-[[[4-(2-oxolanylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]phenyl]ethanone
C22H25N3O3S2 (443.13372599999997)
methyl 5-[1-amino-8,8-dimethyl-5-(morpholin-4-yl)-8,9-dihydro-6H-pyrano[4,3-d]thieno[2,3-b]pyridin-2-yl]furan-2-carboxylate
C22H25N3O5S (443.15148400000004)
N-[3-[4-[(2-methoxyphenyl)sulfamoyl]anilino]-3-oxopropyl]-2-furancarboxamide
C21H21N3O6S (443.11510060000006)
N-butan-2-yl-6-[(4-ethoxyphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide
C22H25N3O5S (443.15148400000004)
N-(1,1-dioxo-3-thiolanyl)-N-methyl-2-[[1-(2-phenylethyl)-2-benzimidazolyl]thio]acetamide
C22H25N3O3S2 (443.13372599999997)
N-[2-[5-[(4-tert-butylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]phenyl]benzamide
1-(2-furanyl)-N-[[1-[(4-methylphenyl)sulfonylmethyl]-5-tetrazolyl]methyl]-N-(thiophen-2-ylmethyl)methanamine
C20H21N5O3S2 (443.10857560000005)
1-(2-Methyl-2,3-dihydroindol-1-yl)-2-[4-[5-(trifluoromethyl)-1-benzotriazolyl]-1-piperidinyl]ethanone
N-(1,3-benzodioxol-5-ylmethyl)-3-methoxy-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzamide
C25H21N3O5 (443.14811360000004)
3-L-prolyl-AMP(1-)
An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups and protonation of the amino group of 3-L-prolyl-AMP; major species at pH 7.3.
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(4-morpholin-4-ylphenyl)prop-2-enamide
C23H29N3O4S (443.1878674000001)
N-[[1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-4-triazolyl]methyl]cyclohexanecarboxamide
C19H21ClF3N5O2 (443.13357920000004)
2-Phenyl-N-(18-phenyl-11-oxa-13,15-diazatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2,4,6,8,12,14,16-octaen-16-yl)acetamide
N-[[(2R,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(2S,3R)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
3-(1,3-Benzodioxol-5-yl)-1-(2,6-dimethyl-4-morpholinyl)-3-(2-hydroxy-4,6-dimethoxyphenyl)-1-propanone
(2R)-2-[(4S,5R)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H29N3O4S (443.1878674000001)
N-[[(2R,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
Phe-Tyr-Asp
A tripeptide composed of L-phenylalanine, L-tyrosine and L-aspartic acid joined by peptide linkages.
(1S,4aS,11S,11aS,12aS)-3-carbamoyl-1-(dimethylazaniumyl)-4a,7,11-trihydroxy-11-methyl-4,6-dioxo-1,4,4a,6,11,11a,12,12a-octahydrotetracene-2,5-diolate
(1S,9R,10R,11R)-12-[(3-chlorophenyl)methyl]-10-(hydroxymethyl)-11-(morpholine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
C23H26ClN3O4 (443.1611746000001)
(2R)-2-[(4S,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H29N3O4S (443.1878674000001)
(2S)-2-[(4S,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H29N3O4S (443.1878674000001)
(2S)-2-[(4R,5R)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H29N3O4S (443.1878674000001)
(2R)-2-[(4R,5R)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H29N3O4S (443.1878674000001)
2-[(1R,3R,4aR,9aS)-6-[(4-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
(2R)-2-[(4R,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H29N3O4S (443.1878674000001)
(2S)-2-[(4R,5S)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H29N3O4S (443.1878674000001)
(2S)-2-[(4S,5R)-5-[(dimethylamino)methyl]-4-methyl-1,1-dioxo-8-[2-(2-pyridinyl)ethynyl]-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-2-yl]-1-propanol
C23H29N3O4S (443.1878674000001)
2-[(1R,3S,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1S,3S,4aR,9aS)-6-[(4-fluorophenyl)carbamoylamino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
(1R,9S,10S,11S)-12-[(3-chlorophenyl)methyl]-10-(hydroxymethyl)-11-(morpholine-4-carbonyl)-7,12-diazatricyclo[7.2.1.02,7]dodeca-2,4-dien-6-one
C23H26ClN3O4 (443.1611746000001)
N-[[(2R,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
3-[(4S,5S)-5-[(dimethylamino)methyl]-2-[(2S)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
C23H29N3O4S (443.1878674000001)
N-[(2S,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
2-[(1R,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1S,3R,4aR,9aS)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1R,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1R,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1R,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-4-[(2-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(3-pyridinyl)ethanone
(1R,2aS,8bS)-1-(hydroxymethyl)-4-[(2-methoxyphenyl)-oxomethyl]-N-phenyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
1-[(1S,2aS,8bS)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
1-[(1S,2aR,8bR)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
3-[4-[(2R,3R)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile
(6R,7R,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6S,7S,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
(6R,7S,8S)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
N-[[(2R,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(2S,3S)-8-bromo-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(2S,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
N-[[(2S,3R)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-2-methoxy-N-methylacetamide
3-[(4S,5S)-5-[(dimethylamino)methyl]-2-[(2R)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3H-6,1$l^{6},2-benzoxathiazocin-8-yl]benzonitrile
C23H29N3O4S (443.1878674000001)
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2R,3R,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(4-phenylanilino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-4-pyridinecarboxamide
2-[(1S,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1S,3R,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1R,3S,4aS,9aR)-6-[[(4-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1R,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1S,3S,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1S,3R,4aS,9aR)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1S,3S,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
2-[(1S,3R,4aR,9aS)-6-[[(2-fluoroanilino)-oxomethyl]amino]-1-(hydroxymethyl)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]-N,N-dimethylacetamide
C23H26FN3O5 (443.18563980000005)
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[(2-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(3-pyridinyl)ethanone
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[(2-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(3-pyridinyl)ethanone
(1S,2aS,8bS)-1-(hydroxymethyl)-4-[(2-methoxyphenyl)-oxomethyl]-N-phenyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1R,2aR,8bR)-1-(hydroxymethyl)-4-[(2-methoxyphenyl)-oxomethyl]-N-phenyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
(1S,2aR,8bR)-1-(hydroxymethyl)-4-[(2-methoxyphenyl)-oxomethyl]-N-phenyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinoline-2-carboxamide
1-[(1R,2aR,8bR)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
1-[(1R,2aS,8bS)-1-(hydroxymethyl)-4-[(4-methoxyphenyl)-oxomethyl]-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-2-(2-pyridinyl)ethanone
(1S,5R)-N-(1,3-benzodioxol-5-yl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide
3-[4-[(2S,3S)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile
3-[4-[(2S,3R)-6-acetyl-2-(hydroxymethyl)-1-(3,3,3-trifluoropropyl)-1,6-diazaspiro[3.3]heptan-3-yl]phenyl]benzonitrile
(6S,7R,8R)-8-(hydroxymethyl)-7-[4-(3-methoxyphenyl)phenyl]-4-[oxo(3-pyridinyl)methyl]-1,4-diazabicyclo[4.2.0]octan-2-one
2-[[4-[(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]pentanedioate
C19H21N7O6-2 (443.15532460000003)
(6R)-5,6,7,8-tetrahydrofolyl-(gamma-L-Glu)n
C19H21N7O6-2 (443.15532460000003)
5-[[4-[4-(3-Hydroxy-2,4,5-trimethyl-6-oxocyclohexa-1,4-dien-1-yl)-2-methylbutoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
C24H29NO5S (443.17663440000007)
Dihydrofolic acid
C19H21N7O6 (443.15532460000003)
A folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid. It interacts with bacteria during cell division and is targeted by various drugs to prevent nucleic acid synthesis. COVID info from COVID-19 Disease Map Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS Dihydrofolic acid is a folic acid derivative acted upon by dihydrofolate reductase to produce tetrahydrofolic acid.
3-O-acetyl-4-O-demethylpapaveroxine
A benzylisoquinoline alkaloid that is 8-hydroxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline which is substituted at the 1-pro-R position by an (acetyloxy)(2-formyl-3,4-dimethoxyphenyl)methyl group. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum.
(6S)-5,6,7,8-tetrahydrofolate(2-)
C19H21N7O6 (443.15532460000003)
Dianion of (6S)-5,6,7,8-tetrahydrofolic acid arising from deprotonation of both carboxylic acid functions.
2-(4-(((2-Amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl)amino)benzamido)pentanedioic acid
C19H21N7O6 (443.15532460000003)
sulfamic acid [4-[4-(2,3-dihydro-1H-inden-1-ylamino)-7-pyrrolo[2,3-d]pyrimidinyl]-2-hydroxycyclopentyl]methyl ester
C21H25N5O4S (443.16271700000004)
5,6,7,8-tetrahydrofolate(2-)
C19H21N7O6 (443.15532460000003)
A dicarboxylic acid anion arising from deprotonation of both carboxylic acid functions of 5,6,7,8-tetrahydrofolic acid; major structure at pH 7.3
tetracycline(1-)
An organic anion that is the conjugate base of tetracycline obtained by deprotonation of the two enolic hydroxy groups and protonation of the tertiary amino group.
S-adenosyl-S-carboxymethyl-L-homocysteine
A sulfonium compound that is S-adenosyl-L-methionine in which one of the methyl hydrogens has been replaced by a carboxy group.
ALOX15-IN-2
C23H29N3O4S (443.1878674000001)
ALOX15-IN-2 (compound 8a) is a potent inhibitor of the linoleate oxygenase activity of rabbit and human ALOX15 with IC50s of 1.55 and 2.79 μM for ALOX15 0rthologs linoleic acid (LA) and arachidonic acid (AA), respectively[1].
JNJ-61432059
JNJ-61432059 is an oral active and selective negative modulator of AMPAR associated with trans-membrane AMPAR regulatory protein (TARP) γ-8, with a pIC50 of 9.7 for GluA1/γ-8. Exhibits time- and dose-dependent AMPAR/γ-8 receptor occupancy in mouse hippocampus, resulting in robust seizure protection in corneal kindling and pentylenetetrazole (PTZ) anticonvulsant models[1].
MK-8617
C24H21N5O4 (443.15934660000005)
MK-8617 is an orally active pan-inhibitor of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) with an IC50 of 1 nM for PHD2.
QNZ46
QNZ46 is a NR2C/NR2D-selective NMDA receptor non-competitive antagonist (IC50 values are 3, 6, 229, and >300, >300 μM for NR2D, NR2C, NR2A, NR2B, and GluR1, respectively). IC50 value: 3 μM (for NR2D), 6 μM (for NR2C), 229 μM (for NR2D NR2A) Target: NR2D, NR2C, NR2A in vitro: QNZ46 is a noncompetitive inhibitor of GluN2C/D containing NMDA receptors. KD and IC50 values for binding and inhibition of GluN1/Glun2D receptors by QNZ46 are 4.9 and 3.9 μM, respectively. QNZ46 does not compete for binding of glutamate or glycine, but QNZ46 receptor binding requires the binding of glutamate to the GluN2 subunit.
methyl 4-[(1-{10-acetyl-11,13-dihydroxy-2,12-dimethyl-3,5-dioxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraen-4-ylidene}ethyl)amino]butanoate
3-{[5-(2-chloro-3-hydroxy-3-methylbutyl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-5-hydroxy-6-methyl-1,6-dihydropyrazin-2-one
C24H30ClN3O3 (443.1975580000001)
(1r,3s,12s,14r,27r)-12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C24H21N5O4 (443.15934660000005)
(11r,15r,17r)-4-hydroxy-5-[(2r,4r,5s,6r)-5-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]-17-methyl-12,16-dioxatetracyclo[8.7.0.0³,⁸.0¹¹,¹⁵]heptadeca-1(10),3,5,7-tetraene-2,9,13-trione
(3z,6s)-3-({5-[(2r)-2-chloro-3-hydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl}methylidene)-6-methyl-6h-pyrazine-2,5-diol
C24H30ClN3O3 (443.1975580000001)
5-{2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl}-3-(2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl)-1,4-dihydroxypyridin-2-one
1-acetyl-6-[4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C23H25NO6S (443.14025100000003)
3-{[7-(3-chloro-2-hydroxy-3-methylbutyl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-5-hydroxy-6-methyl-1,6-dihydropyrazin-2-one
C24H30ClN3O3 (443.1975580000001)
(1's,2s,9s,9as,12'r)-2,17'-dimethyl-2,9a-dihydro-1h-13'-oxa-2',10',17'-triazaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[10.3.2.0²,¹¹.0⁴,⁹]heptadecane]-4',6',8',10'-tetraene-3,3',16'-trione
C24H21N5O4 (443.15934660000005)
(12s,13r,16r)-12-hydroxy-5-methyl-4,6-dioxo-15-[(1e,3e)-penta-1,3-dien-1-yl]-14-oxa-9-azatetracyclo[7.6.1.0²,⁷.0¹³,¹⁶]hexadeca-1(15),2-dien-5-yl 3-hydroxybutanoate
methyl 3'-ethyl-1-hydroxy-6',7'-dimethoxy-2'-methyl-3,4'-dioxo-1,4,5,6-tetrahydro-3'h-spiro[indene-2,1'-isoquinoline]-3a-carboxylate
aristololactam GI
C26H21NO6 (443.13688060000004)
{"Ingredient_id": "HBIN016819","Ingredient_name": "aristololactam GI","Alias": "NA","Ingredient_formula": "C26H21NO6","Ingredient_Smile": "CC1C(OC2=C(O1)C=C3C4=C2C5=CC=CC=C5C=C4NC3=O)C6=CC(=C(C(=C6)OC)O)OC","Ingredient_weight": "443.4 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "35617","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "71573773","DrugBank_id": "NA"}
n-[4-({[2-(2,3-dihydroxyphenyl)-5-methyl-4,5-dihydro-1,3-oxazol-4-yl](hydroxy)methylidene}amino)butyl]-2,3-dihydroxybenzenecarboximidic acid
(1'r,2s,9s,9as,12's)-16'-hydroxy-2,12'-dimethyl-2,9a-dihydro-1h-13'-oxa-2',10',17'-triazaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[10.3.2.0²,¹¹.0⁴,⁹]heptadecane]-4',6',8',10',16'-pentaene-3,3'-dione
C24H21N5O4 (443.15934660000005)
3-[(1r,2r,4as,6r,8ar)-2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl]-1,4-dihydroxy-5-[(1s,2r,6r)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl]pyridin-2-one
3-[(1,3-dihydroxy-2-{[1-hydroxy-2-(methylamino)ethylidene]amino}propylidene)amino]-4,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboximidic acid
12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C24H21N5O4 (443.15934660000005)
(2s,3s,4s,5r,6r)-3-{[(2r)-1,3-dihydroxy-2-{[1-hydroxy-2-(methylamino)ethylidene]amino}propylidene]amino}-4,5-dihydroxy-6-(2-hydroxy-4-iminopyrimidin-1-yl)oxane-2-carboximidic acid
7-hydroxy-3-(7-hydroxy-2,2-dimethylchromen-8-yl)-6-methoxy-5-methyl-2-phenyl-3h-isoindol-1-one
2,17'-dimethyl-2,9a-dihydro-1h-13'-oxa-2',10',17'-triazaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[10.3.2.0²,¹¹.0⁴,⁹]heptadecane]-4',6',8',10'-tetraene-3,3',16'-trione
C24H21N5O4 (443.15934660000005)
(9's,9'ar)-9'-hydroxy-9'-{[(4s)-3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl]methyl}-1',9'a-dihydrospiro[cyclopropane-1,2'-imidazo[1,2-a]indol]-3'-one
C24H21N5O4 (443.15934660000005)
2-acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,11-dione
2-({11,14-dihydroxy-15-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaen-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
(2s)-2-{[(2s)-1-hydroxy-2-({hydroxy[(2s)-5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl]methylidene}amino)-4-(c-hydroxycarbonimidoyl)butylidene]amino}-3-(1h-indol-3-yl)propanoic acid
3-{[5-(3-chloro-2-hydroxy-3-methylbutyl)-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl]methylidene}-5-hydroxy-6-methyl-1,6-dihydropyrazin-2-one
C24H30ClN3O3 (443.1975580000001)
2,4-dihydroxy-3-({1-hydroxy-3-[(1s,5s,6r,8s,9r)-9-hydroxy-5,9-dimethyl-4-oxotricyclo[6.2.2.0¹,⁶]dodec-2-en-5-yl]propylidene}amino)benzoic acid
(9s,12s,15s)-9-amino-4,10,13-trihydroxy-12-[(1s)-1-hydroxyethyl]-2-oxa-11,14-diazatricyclo[15.2.2.1³,⁷]docosa-1(19),3(22),4,6,10,13,17,20-octaene-15-carboxylic acid
(2s,3'r,4's,6's,9'r)-3',4',9'-trihydroxy-6-methoxy-6'-(2-methylprop-1-en-1-yl)-1h-1',7'-diazaspiro[indole-2,5'-tricyclo[7.3.0.0³,⁷]dodecane]-2',3,8'-trione
(3z,6s)-3-({7-[(2r)-3-chloro-2-hydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl}methylidene)-6-methyl-6h-pyrazine-2,5-diol
C24H30ClN3O3 (443.1975580000001)
(2r,3r,4s,5s,6r)-2-{[(2s,3s,4s,5r)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2s,3r)-2-amino-3-hydroxybutanoate
C16H29NO13 (443.16388240000003)
2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl 2-amino-3-hydroxybutanoate
C16H29NO13 (443.16388240000003)
2,4-dihydroxy-3-[(1-hydroxy-3-{9-hydroxy-5,9-dimethyl-4-oxotricyclo[6.2.2.0¹,⁶]dodec-2-en-5-yl}propylidene)amino]benzoic acid
1-acetyl-6-[(2r,4r,5s,6r)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-5-hydroxy-3-methylnaphtho[2,3-c]thiophene-4,9-dione
C23H25NO6S (443.14025100000003)
(1s,3s,12s,14r,27s)-12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C24H21N5O4 (443.15934660000005)
3-(2,6-dimethyl-1,2,4a,5,6,7,8,8a-octahydronaphthalene-1-carbonyl)-1,4-dihydroxy-5-{2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]heptan-2-yl}pyridin-2-one
(2r,3s,4s,5s,6s)-2-(1,2-dihydroxyethyl)-6-{[(1r,2s)-1-hydroxy-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propan-2-yl]oxy}-4-methoxyoxane-3,5-diol
2-[(1-hydroxy-2-{[hydroxy(5-hydroxy-3,4-dihydro-2h-pyrrol-2-yl)methylidene]amino}-4-(c-hydroxycarbonimidoyl)butylidene)amino]-3-(1h-indol-3-yl)propanoic acid
16'-hydroxy-2,12'-dimethyl-2,9a-dihydro-1h-13'-oxa-2',10',17'-triazaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[10.3.2.0²,¹¹.0⁴,⁹]heptadecane]-4',6',8',10',16'-pentaene-3,3'-dione
C24H21N5O4 (443.15934660000005)
(2s)-2-(3-hydroxyphenyl)-2-{[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-({[(2s,3r,4s,5r)-3,4,5-trihydroxyoxan-2-yl]oxy}methyl)oxan-2-yl]oxy}acetonitrile
C19H25NO11 (443.14275399999997)
(1r,3s,12s,14r,27s)-12,26-dihydroxy-1,3-dimethyl-2,5,15,23,25-pentaazaheptacyclo[12.10.2.1²,⁵.0⁶,¹¹.0¹⁵,²⁴.0¹⁷,²².0¹²,²⁷]heptacosa-6,8,10,17,19,21,23,25-octaene-4,16-dione
C24H21N5O4 (443.15934660000005)
methyl 4-({1-[(2r,4e)-10-acetyl-11,13-dihydroxy-2,12-dimethyl-3,5-dioxo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(13),6,9,11-tetraen-4-ylidene]ethyl}amino)butanoate
(2s,3r,4s,5s,6r)-2-({11,14-dihydroxy-15-methoxy-10-azatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),2(7),3,5,8,10,12,14-octaen-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
3-[(1s,2s,4ar,8as)-2,6-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-1-carbonyl]-5-[(1s,2r,5s,6s)-2,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]-1,4-dihydroxypyridin-2-one
(3z,6s)-3-({5-[(2r)-3-chloro-2-hydroxy-3-methylbutyl]-2-(2-methylbut-3-en-2-yl)-1h-indol-3-yl}methylidene)-6-methyl-6h-pyrazine-2,5-diol
C24H30ClN3O3 (443.1975580000001)
(1'r,2s,9s,9as,12'r)-16'-hydroxy-2,12'-dimethyl-2,9a-dihydro-1h-13'-oxa-2',10',17'-triazaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[10.3.2.0²,¹¹.0⁴,⁹]heptadecane]-4',6',8',10',16'-pentaene-3,3'-dione
C24H21N5O4 (443.15934660000005)
(9s,12s,15s)-9-amino-4,10,13-trihydroxy-12-[(1r)-1-hydroxyethyl]-2-oxa-11,14-diazatricyclo[15.2.2.1³,⁷]docosa-1(19),3(22),4,6,10,13,17,20-octaene-15-carboxylic acid
(4s,4as,5as,6s,12as)-2-acetyl-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-6-methyl-4,4a,5,5a-tetrahydrotetracene-1,11-dione
2-(1,2-dihydroxyethyl)-6-{[1-hydroxy-1-(4-hydroxy-2-imino-1h-pteridin-6-yl)propan-2-yl]oxy}-4-methoxyoxane-3,5-diol
9'-hydroxy-9'-({3-hydroxy-6-oxo-1h,4h-pyrazino[2,1-b]quinazolin-4-yl}methyl)-1',9'a-dihydrospiro[cyclopropane-1,2'-imidazo[1,2-a]indol]-3'-one
C24H21N5O4 (443.15934660000005)
(1'r,2s,9s,9ar,12'r)-16'-hydroxy-2,12'-dimethyl-2,9a-dihydro-1h-13'-oxa-2',10',17'-triazaspiro[imidazo[1,2-a]indole-9,14'-tetracyclo[10.3.2.0²,¹¹.0⁴,⁹]heptadecane]-4',6',8',10',16'-pentaene-3,3'-dione
C24H21N5O4 (443.15934660000005)