Exact Mass: 371.1416
Exact Mass Matches: 371.1416
Found 500 metabolites which its exact mass value is equals to given mass value 371.1416,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Trazodone
A serotonin uptake inhibitor that is used as an antidepressive agent. It has been shown to be effective in patients with major depressive disorders and other subsets of depressive disorders. It is generally more useful in depressive disorders associated with insomnia and anxiety. This drug does not aggravate psychotic symptoms in patients with schizophrenia or schizoaffective disorders. (From AMA Drug Evaluations Annual, 1994, p309) CONFIDENCE standard compound; INTERNAL_ID 712; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7040; ORIGINAL_PRECURSOR_SCAN_NO 7038 CONFIDENCE standard compound; INTERNAL_ID 712; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6960; ORIGINAL_PRECURSOR_SCAN_NO 6956 CONFIDENCE standard compound; INTERNAL_ID 712; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 7037; ORIGINAL_PRECURSOR_SCAN_NO 7034 CONFIDENCE standard compound; INTERNAL_ID 712; DATASET 20200303_ENTACT_RP_MIX506; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 6996; ORIGINAL_PRECURSOR_SCAN_NO 6993 D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants CONFIDENCE standard compound; INTERNAL_ID 2271 D049990 - Membrane Transport Modulators Trazodone (AF-1161 free base) is a serotonin receptor antagonist and reuptake inhibitor. Trazodone can be used for the research of major depressive disorder. Trazodone also has potential for sleep disorder research[1].
1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
ATC code: L01CC01 Colcemid (Demecolcine) is a potent mitotic inhibitor with an IC50 value of 2.4 μM for inhibition of tubulin polymerization. Colcemid (Demecolcine) can interact with tubulin dimers to induce anti-mitotic action and inhibit microtubule growth. Colcemid (Demecolcine) can be used for inflammatory disorders and cancer research[1][2]. Colcemid (Demecolcine) is a potent mitotic inhibitor with an IC50 value of 2.4 μM for inhibition of tubulin polymerization. Colcemid (Demecolcine) can interact with tubulin dimers to induce anti-mitotic action and inhibit microtubule growth. Colcemid (Demecolcine) can be used for inflammatory disorders and cancer research[1][2].
Isoandrocymbine
Isoandrocymbine is an isoquinoline alkaloid. Isoandrocymbine has been reported in Colchicum autumnale
isradipine
C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Isradipine
Isradipine belongs to the dihydropyridine (DHP) class of calcium channel blockers (CCBs), the most widely used class of CCBs. It is structurally related to felodipine, nifedipine, and nimodipine and is the most potent calcium-channel blocking agent of the DHP class. Isradipine binds to calcium channels with high affinity and specificity and inhibits calcium flux into cardiac and arterial smooth muscle cells. It exhibits greater selectivity towards arterial smooth muscle cells owing to alternative splicing of the alpha-1 subunit of the channel and increased prevalence of inactive channels in smooth muscle cells. Isradipine may be used to treat mild to moderate essential hypertension. C - Cardiovascular system > C08 - Calcium channel blockers > C08C - Selective calcium channel blockers with mainly vascular effects > C08CA - Dihydropyridine derivatives C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D002317 - Cardiovascular Agents > D000959 - Antihypertensive Agents D002317 - Cardiovascular Agents > D014665 - Vasodilator Agents D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4-dimethoxycinnamic acid amide
N-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4-dimethoxycinnamic acid amide is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
N-Methyl-14-O-demethylepiporphyroxine
N-Methyl-14-O-demethylepiporphyroxine is an alkaloid from Papaver somniferum (opium poppy
4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside
4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside, also known as 4-AHPh-oba-glu, is classified as a member of the Phenolic glycosides. Phenolic glycosides are organic compounds containing a phenolic structure attached to a glycosyl moiety. Some examples of phenolic structures include lignans, and flavonoids. Among the sugar units found in natural glycosides are D-glucose, L-Fructose, and L rhamnose. 4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside is considered to be slightly soluble (in water) and acidic
2-Methoxy-4-(2-(methylamino)propyl)phenyl beta-D-glucopyranosiduronic acid
2-[6-(4-Chlorophenoxy)hexyl]-1-cyano-3-pyridin-4-ylguanidine
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
4-(1-Isopropyl-2-methyl-1H-imidazol-5-yl)-N-(4-(methylsulfonyl)phenyl)pyrimidin-2-amine
Amocarzine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
Baricitinib
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, DrugBank C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Darodipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
Lenperone
C78272 - Agent Affecting Nervous System > C29710 - Antipsychotic Agent
N-(9H-Fluoren-9-ylacetyl)-L-phenylalanine
N-Hydroxymexiletine glucuronide
2-[4-[(2,5-Difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline
(3z)-N,N-Dimethyl-2-Oxo-3-(4,5,6,7-Tetrahydro-1h-Indol-2-Ylmethylidene)-2,3-Dihydro-1h-Indole-5-Sulfonamide
Hydroxydesmethylpiperine sulfate
1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-3-ol
5-(3-nitrophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
N-(3-hydroxy-1,2,10-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl)formamide
(7S)-6-methoxy-2-methyl-6,8,3,4-tetrahydro-2H-(7rN)-spiro[indeno[4,5-d][1,3]dioxole-7,1-isoquinoline]-6t,8t,7-triol|ledeboridine|Ledebouridin|ledebouridine
2-Demethylcolchicein|2-Desmethylcolchicein|3-Demethyl-colchicein
Cryptopleurospermin|Cryptopleurospermine|[6-(2-dimethylamino-ethyl)-benzo[1,3]dioxol-5-yl]-(3-hydroxy-4-methoxy-phenyl)-ethanedione
beta-Lumidemcolcine|beta-Lumidemecolcin|Lumidemecolcin
7-Methoxy,2,3-epoxide-8-(3,3-Dimethylallyloxy)-N-methylflindersine
5,6-dimethoxy-2-(2,5,6-trimethoxyphenyl)-1h-quinolin-4-one
2-Demethyl-N-deacetyl-N-formylcolchicine|2-Demethyl-N-formyl-N-desacetyl-colchicin
(-)-8-oxo-2,10-dihydroxy-3,9,11-trimethoxyberberine
7-O-(2-amino-2-deoxy-alpha-D-glucopyranosyl)-L-glycero-alpha-D-manno-heptopyranoside
(E)-N-[2-(4-hydroxyphenyl)-2-propoxyethyl] ferulamide
(+-)-Multifloramin|(+/-)-multifloramine|(RS)-Multifloramin|Multifloramin
(1,2,3-trimethoxy-9,10-methylenedioxynoraporphine)
N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indole-5-sulfonamide
Demecolcine
(-)-demecolcine is a secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic. It has a role as an antineoplastic agent and a microtubule-destabilising agent. It is an alkaloid and a secondary amino compound. Demecolcine is a natural product found in Colchicum arenarium, Colchicum crocifolium, and other organisms with data available. Demecolcine is a colchicine analog with potential antimitotic and antineoplastic activities. Demecolcine acid binds to the colchicine-binding site of tubulin, inhibiting its polymerization into microtubules, causing cell cycle arrest at metaphase and preventing cell division. An alkaloid isolated from Colchicum autumnale L. and used as an antineoplastic. L - Antineoplastic and immunomodulating agents > L01 - Antineoplastic agents > L01C - Plant alkaloids and other natural products > L01CC - Colchicine derivatives C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C273 - Antimitotic Agent D050258 - Mitosis Modulators > D050256 - Antimitotic Agents > D050257 - Tubulin Modulators D000970 - Antineoplastic Agents > D050256 - Antimitotic Agents ATC code: L01CC01 Origin: Plant; SubCategory_DNP: Isoquinoline alkaloids, Phenethylisoquinoline alkaloids, Colchicine alkaloids relative retention time with respect to 9-anthracene Carboxylic Acid is 0.681 relative retention time with respect to 9-anthracene Carboxylic Acid is 0.679 Colcemid (Demecolcine) is a potent mitotic inhibitor with an IC50 value of 2.4 μM for inhibition of tubulin polymerization. Colcemid (Demecolcine) can interact with tubulin dimers to induce anti-mitotic action and inhibit microtubule growth. Colcemid (Demecolcine) can be used for inflammatory disorders and cancer research[1][2]. Colcemid (Demecolcine) is a potent mitotic inhibitor with an IC50 value of 2.4 μM for inhibition of tubulin polymerization. Colcemid (Demecolcine) can interact with tubulin dimers to induce anti-mitotic action and inhibit microtubule growth. Colcemid (Demecolcine) can be used for inflammatory disorders and cancer research[1][2].
Corynoxidine
Corynoxidine is a natural product found in Corydalis balansae, Corydalis speciosa, and Stephania rotunda with data available. (-)-Corynoxidine is an acetylcholinesterase inhibitor with an IC50 value of 89.0 μM, isolated from the aerial parts of Corydalis speciosa[1]. (-)-Corynoxidine exhibits antibacterial activities against Staphylococcus aureus and methicillin-resistant S. aureus strains in different degrees[2]. (-)-Corynoxidine is an acetylcholinesterase inhibitor with an IC50 value of 89.0 μM, isolated from the aerial parts of Corydalis speciosa[1]. (-)-Corynoxidine exhibits antibacterial activities against Staphylococcus aureus and methicillin-resistant S. aureus strains in different degrees[2].
Epicorynoxidine
Epicorynoxidine is a natural product found in Corydalis balansae and Stephania rotunda with data available.
C20H21NO6_6-Methoxy-2-methyl-3,4,6,8-tetrahydro-2H-spiro[indeno[4,5-d][1,3]dioxole-7,1-isoquinoline]-7,8-diol 2-oxide
trazodone
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017367 - Selective Serotonin Reuptake Inhibitors D002492 - Central Nervous System Depressants > D014149 - Tranquilizing Agents > D014151 - Anti-Anxiety Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D000928 - Antidepressive Agents D002491 - Central Nervous System Agents > D011619 - Psychotropic Drugs > D014149 - Tranquilizing Agents D002491 - Central Nervous System Agents > D002492 - Central Nervous System Depressants D018377 - Neurotransmitter Agents > D014179 - Neurotransmitter Uptake Inhibitors C78272 - Agent Affecting Nervous System > C265 - Antidepressant Agent N - Nervous system > N06 - Psychoanaleptics > N06A - Antidepressants D049990 - Membrane Transport Modulators Trazodone (AF-1161 free base) is a serotonin receptor antagonist and reuptake inhibitor. Trazodone can be used for the research of major depressive disorder. Trazodone also has potential for sleep disorder research[1].
Lycorine-diacetate
[Raw Data] CBA62_Lycorine-2Ac_pos_50eV.txt [Raw Data] CBA62_Lycorine-2Ac_pos_40eV.txt [Raw Data] CBA62_Lycorine-2Ac_pos_30eV.txt [Raw Data] CBA62_Lycorine-2Ac_pos_20eV.txt [Raw Data] CBA62_Lycorine-2Ac_pos_10eV.txt
Ala Ala Asn Pro
Ala Ala Pro Asn
Ala Gly Pro Gln
Ala Gly Gln Pro
Ala Asn Ala Pro
Ala Asn Pro Ala
Ala Pro Ala Asn
Ala Pro Gly Gln
Ala Pro Asn Ala
Ala Pro Gln Gly
Ala Gln Gly Pro
Ala Gln Pro Gly
Gly Ala Pro Gln
Gly Ala Gln Pro
Gly Pro Ala Gln
Gly Pro Gln Ala
Gly Gln Ala Pro
Gly Gln Pro Ala
Asn Ala Ala Pro
Asn Ala Pro Ala
Asn Pro Ala Ala
Pro Ala Ala Asn
Pro Ala Gly Gln
Pro Ala Asn Ala
Pro Ala Gln Gly
Pro Gly Ala Gln
SU 6656
SU6656 is a Src family kinases inhibitor with IC50s of 280, 20, 130, 170 nM for Src, Yes, Lyn, and Fyn, respectively. SU6656 inhibits FAK phosphorylation at Y576/577, Y925, Y861 sites. SU6656 also inhibits p-AKT.
Alkaloid a4
camazepam
N - Nervous system > N05 - Psycholeptics > N05B - Anxiolytics > N05BA - Benzodiazepine derivatives C78272 - Agent Affecting Nervous System > C29756 - Sedative and Hypnotic > C1012 - Benzodiazepine C78272 - Agent Affecting Nervous System > C28197 - Antianxiety Agent
(4-(3-CHLOROPHENYLAMINO)-1-METHYL-1H-IMIDAZO[4,5-C]PYRIDIN-7-YL)(MORPHOLINO)METHANONE
3-[[2-[4-(2-phenylethynyl)phenoxy]acetyl]amino]benzoic acid
1-benzamido-4-(diazonioamino)-2,5-dimethoxybenzene,tetrafluoroborate
ONO-RS-082
ONO-RS-082 is an inhibitor of phospholipase A (PLA)[1]. ONO-RS-082 inhibits PLA2 with the IC50 of 1.0 μM, but does not inhibit PLC even at 100 μM[2].
Urea, N-[(2-chloro-7,8-dimethyl-3-quinolinyl)methyl]-N-(2-furanylmethyl)-N,N-dimethyl- (9CI)
Urea, N-[(2-chloro-6,7-dimethyl-3-quinolinyl)methyl]-N-(2-furanylmethyl)-N,N-dimethyl- (9CI)
N6-(2-Phenylethyl)adenosine
N6-(2-Phenylethyl)adenosine (N6-Phenethyladenosine), an adenosine derivative, is a potent adenosine receptors (AR) agonist with Ki values of 11.8 nM, 30.1 nM, 0.63 nM for rat A1AR, human A1AR and hA3AR, respectively[1]. N6-(2-Phenylethyl)adenosine (N6-Phenethyladenosine), an adenosine derivative, is a potent adenosine receptors (AR) agonist with Ki values of 11.8 nM, 30.1 nM, 0.63 nM for rat A1AR, human A1AR and hA3AR, respectively[1].
(R)-N-(1-(Naphthalen-1-yl)ethyl)-3-(3-(trifluoromethyl)phenyl)propanamide
N-[2-(Diphenylphosphino)benzylidene]cyclohexylamine
Naratriptan Hydrochloride
D018377 - Neurotransmitter Agents > D018490 - Serotonin Agents > D017366 - Serotonin Receptor Agonists C78272 - Agent Affecting Nervous System > C47794 - Serotonin Agonist D002317 - Cardiovascular Agents > D014662 - Vasoconstrictor Agents Naratriptan hydrochloride is a selective 5-HT1 receptor subtype agonist and is a triptan drug that is used for the treatment of migraine headaches. Target: 5-HT1 Receptor Naratriptan is a triptan drug marketed by GlaxoSmithKline and is used for the treatment of migraine headaches. Naratriptan is available in 2.5 mg tablets. It is a selective 5-HT1 receptor subtype agonist. Naratriptan is used for the treatment of the acute migraine attacks and the symptoms of migraine, including severe, throbbing headaches that sometimes are accompanied by nausea and sensitivity to sound or light. The causes of migraine are not clearly understood; however, the efficacy of naratriptans and other triptans is believed to be due to their activity as 5HT (serotonin) agonists.A meta-analysis of 53 clinical trials has shown that all triptans are effective for treating migraine at marketed doses and that naratriptan, although less effective than sumatriptan and rizatriptan was more effective than placebo in reducing migraine symptoms at two hours and efficacy was demonstrated in almost two thirds of subjects after four hours of treatment.
N-((4-NITROPHENYL)SULFONYL)-1-(TERT-BUTYLOXYCARBONYL)PIPERAZINE
1-(4,4-diphenyl-3-butenyl)-3-piperidinecarboxylicacidhydrochloride；SKF89976AHCl
SKF89976A hydrochloride is a selective GABA transporter (GAT-1) inhibitor with IC50s of 0.28 μM, 137.34 μM and 202.8 μM for GAT-1, GAT-2 and GAT-3 in CHO cells, respectively.
Benzyl 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
(E)-1-(4,8-dimethoxynaphthalen-1-yl)-N-(1-prop-2-enylbenzimidazol-2-yl)methanimine
Ethyl 3-amino-2-{[(2-cyano-4-biphenylyl)methyl]amino}benzoate
Olanexidine
C254 - Anti-Infective Agent > C28394 - Topical Anti-Infective Agent D007004 - Hypoglycemic Agents > D001645 - Biguanides
1-Benzoyl-2,3-diphenylpyrrolidine-4-carboxylic acid
Methyl 4-{5-[bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2- yl}butanoate
N-(1-(NAPHTHALEN-1-YL)ETHYL)-3-(3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE
7-HYDROXY-8-((2-METHOXYPHENYL)DIAZENYL)-N,N,N-TRIMETHYLNAPHTHALEN-2-AMINIUM CHLORIDE
Xanomeline oxalate
Xanomeline oxalate (LY246708 oxalate) is a potent and selective muscarinic receptor agonist (SMRA) and stimulates phosphoinositide hydrolysis in vivo. Xanomeline oxalate can be used for the research of Alzheimer’s disease[1].
(S)-4-tert-butoxycarbonyl-2-p-toluenesulfonyloxymethylmorpholine
N-(4-(naphthalen-1-yl)phenyl)-[1,1-biphenyl]-4-amine
2-[(2-Acetamido-6-oxo-1,6-dihydro-9H-purin-9-yl)methoxy]ethyl benzoate
N-[4-(2-Naphthalenyl)phenyl]-[1,1-biphneyl]-4-amine
N,N-diMethyl-4-((E)-4-((E)-(4-nitrobenzylidene)aMino)styryl)aniline
Benzyl 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenylcarbamate
4-(Benzyloxycarbonylamino)-2-fluorophenylboronic acid, pinacol ester
2-Oxazolidinone,3-[(5S)-5-(4-fluorophenyl)-5-hydroxy-1-oxopentyl]-4-(phenylmethyl)-,(4S)-
1-amino-4-[[4-[(dimethylamino)methyl]phenyl]amino]anthraquinone
6-methylheptoxycarbonylmethanethiolate: trimethyltin
1,5-Naphthyridine-3-carboxamide, 7-((4-fluorophenyl)methyl)-1,2-dihydro-4-hydroxy-N-(2-hydroxyethyl)-1-methyl-2-oxo-
SU6656
SU6656 is a Src family kinases inhibitor with IC50s of 280, 20, 130, 170 nM for Src, Yes, Lyn, and Fyn, respectively. SU6656 inhibits FAK phosphorylation at Y576/577, Y925, Y861 sites. SU6656 also inhibits p-AKT.
[5-Amino-1-(4-fluorophenyl)-1H-pyrazol-4-YL](3-{[(2R)-2,3-dihydroxypropyl]oxy}phenyl)methanone
1-Cyclopentyl-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
1-[1-oxo-2-[(4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-yl)oxy]ethyl]-4-piperidinecarboxylic acid
N-cyclohexyl-2-[[6-(4-ethoxyphenyl)-3-pyridazinyl]thio]acetamide
N-[4-[(1,2-dimethyl-5-indolyl)methylsulfamoyl]phenyl]acetamide
3,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, methyl 1-methylethyl ester, (4S)-
(R)-N-(3-Indol-1-YL-2-methyl-propyl)-4-sulfamoyl-benzamide
(S)-N-(3-Indol-1-YL-2-methyl-propyl)-4-sulfamoyl-benzamide
Baricitinib
L - Antineoplastic and immunomodulating agents > L04 - Immunosuppressants > L04A - Immunosuppressants > L04AA - Selective immunosuppressants C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor COVID info from Guide to PHARMACOLOGY, clinicaltrial, clinicaltrials, clinical trial, clinical trials, DrugBank C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor > C172200 - JAK Inhibitor Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS
Darodipine
C78274 - Agent Affecting Cardiovascular System > C270 - Antihypertensive Agent > C333 - Calcium Channel Blocker D002317 - Cardiovascular Agents > D002121 - Calcium Channel Blockers D000077264 - Calcium-Regulating Hormones and Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
(2S)-2-[[2-[(1R,2S)-3-oxo-2-[(Z)-5-oxopent-2-enyl]cyclopentyl]acetyl]amino]-3-phenylpropanoic acid
2-[1-[2-Oxo-2-[(4-thiophen-2-ylphenyl)methylamino]ethyl]cyclohexyl]acetic acid
4-benzyl-6-ethyl-6-methyl-6,7-dihydrobenzo[h]tetrazolo[1,5-a]quinazolin-5(4H)-one
(S)-averantin(1-)
A phenolate anion obtained by deprotonation of the 2-hydroxy group of (S)-averantin. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
(+)-N-(methoxycarbonyl)-N-norboldine
An aporphine alkaloid that is laurolistine with a N-methoxycarbonyl group. Isolated from the aerial parts of Litsea cubeba, it exhibits antimicrobial activities.
4-hydroxy-1-(3-methylbutyl)-N-(5-methyl-1,3-thiazol-2-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
1-[2-(2-Amino-3-cyano-1-pyrrolo[3,2-b]quinoxalinyl)ethyl]-3-phenylurea
(5Z)-3-hexyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
1-[[1-Oxo-3-(4-propan-2-yloxyphenyl)propyl]amino]-3-(phenylmethyl)thiourea
2-cyano-N-(phenylmethyl)-2-[3-(1-pyrrolidinyl)-2-quinoxalinyl]acetamide
5-(2,3-Dihydroindol-1-ylsulfonyl)-1,3-diethyl-2-benzimidazolone
[4-[[4-(Methylthio)phenyl]methyl]-1-piperazinyl]-(4-nitrophenyl)methanone
3-Methyl-1-phenyl-5-thieno[2,3-c]pyrazolecarboxylic acid [2-(butylamino)-2-oxoethyl] ester
2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-pyridin-4-ylmethylideneamino]acetamide
2-[3-(4-Methoxyphenyl)-1-benzo[f]quinolinyl]acetic acid ethyl ester
2-(2,5-Difluorophenyl)-5-methyl-4-[[4-(2-pyrazinyl)-1-piperazinyl]methyl]oxazole
4-methyl-N-(3-methylbutyl)-5-(5-methyl-3-phenyl-4H-isoxazol-5-yl)-2-thiazolecarboxamide
1-[4-(3-Hydroxy-2-methoxyphenyl)-4-(3-hydroxy-4-methoxyphenyl)-1-piperidinyl]ethanone
2-Acetyl-6-amino-8-(2-phenylethyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
1-[2-[(3-Cyano-5,7-dimethyl-2-quinolinyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester
5-(dimethylamino)-N-[4-(hydroxyamino)benzyl]naphthalene-1-sulfonamide
1-(2-chlorophenyl)-N-[(1-cyclopentyl-5-tetrazolyl)methyl]-N-(2-furanylmethyl)methanamine
2-[(2S,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
methyl 2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
(2R,3S,4R)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-[1-oxo-2-(2-pyridinyl)ethyl]-2-azetidinecarbonitrile
methyl 2-[(1S,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
methyl 2-[(1R,3S,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]acetate
(2R,3R,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-[1-oxo-2-(2-pyridinyl)ethyl]-2-azetidinecarbonitrile
(2S,3R,4S)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-[1-oxo-2-(2-pyridinyl)ethyl]-2-azetidinecarbonitrile
(2S,3R,4R)-3-[4-(2-cyclopropylethynyl)phenyl]-4-(hydroxymethyl)-1-(2-pyridin-2-ylacetyl)azetidine-2-carbonitrile
2-[(2S,5R,6S)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
2-[(2R,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(1S,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
(2S,3S,3aR,9bR)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
2-[(2S,5S,6R)-5-(ethylsulfonylamino)-6-(hydroxymethyl)-2-oxanyl]-N-(2-pyridinylmethyl)acetamide
2-[(2R,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,3R,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(2R,3R,6R)-2-(hydroxymethyl)-3-[(4-methoxyphenyl)sulfonylamino]-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1R,3S,4aR,9aS)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
2-[(1S,3R,4aS,9aR)-1-(hydroxymethyl)-6-(methanesulfonamido)-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
(2R,3R,3aS,9bS)-7-(4-fluorophenyl)-3-(hydroxymethyl)-N,N-dimethyl-6-oxo-1,2,3,3a,4,9b-hexahydropyrrolo[2,3-a]indolizine-2-carboxamide
hydron;N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;chloride
(2E)-2-[(E)-benzylidenehydrazinylidene]-5,5-diphenyl-1,3-thiazolidin-4-one
(4S)-2-(1,3-benzothiazol-2-yl)-5-methyl-4-(naphthalen-1-ylmethyl)-4H-pyrazol-3-one
2-Amino-3-[(3-heptanoyloxy-2-hydroxypropoxy)-hydroxyphosphoryl]oxypropanoic acid
(11S,12S,13S)-16,17-dimethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
(11R,12S,13S)-16,17-dimethoxy-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
GMX1778
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
ent-glycosmisate
A monocarboxylic acid anion that is the conjugate base of ent-glycosmisic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Amocarzine
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000871 - Anthelmintics C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C250 - Antihelminthic Agent
4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid O-glucoside
N,N-dimethyl-2-oxo-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylene)indoline-5-sulfonamide
glycosmisate
A monocarboxylic acid anion that is the conjugate base of glycosmisic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
(-)-Demecolcine
A secondary amino compound that is (S)-colchicine in which the N-acetyl group is replaced by an N-methyl group. Isolable from the autumn crocus, Colchicum autumnale, it is less toxic than colchicine and is used as an antineoplastic.
VUF-5574
VUF-5574 is a selective antagonist of adenosine A3 receptor with a Ki of 4.03 nM for the recombinant human receptor[1].
(1r)-11,17-dimethoxy-6,8,12-trioxa-22-azapentacyclo[11.9.0.0²,¹⁰.0⁵,⁹.0¹⁴,¹⁹]docosa-2(10),3,5(9),14(19),15,17-hexaen-16-ol
n-{5-hydroxy-3,4,14-trimethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-10-yl}carboximidic acid
(1s)-5,6,7-trimethoxy-1-[(6-methyl-2h-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
13-hydroxy-15,16-dimethoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1,6,8(20),14,16,18-hexaen-11-ium-11-olate
(6r,12br)-2,3,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphen-6-ium-6-olate
n-[(10s)-4-hydroxy-3,5,14-trimethoxy-13-oxotricyclo[9.5.0.0²,⁷]hexadeca-1(16),2(7),3,5,11,14-hexaen-10-yl]carboximidic acid
14-acetyl-5-hydroxy-9-methyl-4,10-dioxa-14-azapentacyclo[11.7.0.0¹,⁵.0⁷,¹².0¹⁵,²⁰]icosa-15,17,19-triene-8-carbaldehyde
n-[(10s,12r,16s)-5-hydroxy-3,4,14-trimethoxy-13-oxotetracyclo[9.5.0.0²,⁷.0¹²,¹⁶]hexadeca-1(11),2,4,6,14-pentaen-10-yl]carboximidic acid
(2s)-4,9-dihydroxy-2-(2-hydroxypropan-2-yl)-11-methoxy-10-methyl-2h,3h-furo[3,2-b]acridin-5-one
4,16,17-trimethoxy-11-methyl-11-azatetracyclo[8.7.1.0²,⁷.0¹⁴,¹⁸]octadeca-1(17),2(7),3,5,14(18),15-hexaene-3,5-diol
(2s)-n-{6-[(r)-(acetyloxy)(phenyl)methyl]-4-oxopyran-3-carbonyl}-2-methylbutanimidic acid
5,6,7-trimethoxy-1-[(6-methyl-2h-1,3-benzodioxol-5-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
(12br)-2,3,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphen-6-ium-6-olate
5-hydroxy-2-[hydroxy(4-hydroxyphenyl)methyl]-4-(1-hydroxy-4,6-dimethylocta-2,4-dien-1-ylidene)-2h-pyrrol-3-one
(2e)-4-({4,8-dimethoxyfuro[2,3-b]quinolin-7-yl}oxy)-2-methylbut-2-en-1-yl acetate
(5s,9bs,11r)-7,8,11-trimethoxy-2h,4h,5h,10h,11h-indolo[7a,1-a]isoquinolin-5-yl acetate
10-(dimethylamino)-5-hydroxy-3,4,14-trimethoxytricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-13-one
3,4,10,11-tetramethoxy-7,8,12b,13-tetrahydro-5h-6-azatetraphen-2-ol
6-methoxy-3-{7-methoxy-9h-pyrido[3,4-b]indole-1-carbonyl}-1h-indole
(10r)-3,4,5,14-tetramethoxy-10-(methylamino)tricyclo[9.5.0.0²,⁷]hexadeca-1(16),2,4,6,11,14-hexaen-13-one
(9s)-4,5,14,15,16-pentamethoxy-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,13(17),14-hexaene
16-oxodelavaine
{"Ingredient_id": "HBIN001942","Ingredient_name": "16-oxodelavaine","Alias": "NA","Ingredient_formula": "C20H21NO6","Ingredient_Smile": "CN1C2CC3=CC4=C(C=C3C5(C2C(=C(C(=O)C5)OC)OC)CC1=O)OCO4","Ingredient_weight": "NA","OB_score": "NA","CAS_id": "NA","SymMap_id": "NA","TCMID_id": "16299","TCMSP_id": "NA","TCM_ID_id": "NA","PubChem_id": "NA","DrugBank_id": "NA"}
acutifolidine; (s)-form
{"Ingredient_id": "HBIN014655","Ingredient_name": "acutifolidine; (s)-form","Alias": "NA","Ingredient_formula": "C21H25NO5","Ingredient_Smile": "NA","Ingredient_weight": "371.43","OB_score": "NA","CAS_id": "126595-93-5","SymMap_id": "NA","TCMID_id": "NA","TCMSP_id": "NA","TCM_ID_id": "7166","PubChem_id": "NA","DrugBank_id": "NA"}
