Bioactive Compound Details

BioIDbio97983
NameVALSARTAN
ChEMBL IDCHEMBL1069
Molecular FormulaC24H29N5O3
Molecular Weight435.53
Molecular Weight (Monoisotopic)435.227
TypeSmall molecule
Max PhasePhase 4
Target IDTar53
Target NameNone
SynonymsCGP 48933|CGP-48933|DIOVAN|Exforge|NSC-758927|PREXXARTAN|VALSARTAN
SmilesCCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)[C@H](C(=O)O)C(C)C
InchiInChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/m0/s1
Inchi KeyACWBQPMHZXGDFX-QFIPXVFZSA-N
Molecular SpeciesACID
Targets172.0
Bioactivities2162.0
Np Likeness Score-0.98
Records Key['valsartan', 'Valsartan', 'Valsartan', 'Valsartan', '4e (valsartan)', 'valsartan', 'Valsartan', 'CGP-48933', 'Valsartan', 'SID26719825', 'Valsartan', 'valsartan', 'Valsartan', 'Valsartan', 'Valsartan', 'Valsartan', '112', 'valsartan', 'valsartan', '189, CGP-48933', '375', 'Valsartan', 'Valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'Co-diovan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'Valsartan', 'Valsartan', 'VALSARTAN', 'valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', '1764', 'COVC-0136525573', 'Valsartan', 'VALSARTAN', 'Valsartan', 'Valsartan', 'VALSARTAN', 'Valsartan', 'Valsartan', 'VALSARTAN', 'valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'VALSARTAN', 'SAM001246581', 'VALSARTAN', 'Valsartan', '8', 'EUB0000762a', 'EUB0000762a', 'EUB0000762a', 'EUB0000762a', 'Valsartan', 'Valsartan', 'Valsartan']
Records Name[3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-yl]-amino}-butyric acid", 'Valsartan', 'Valsartan', "(S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid", "(S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid", "2-{[2'-(2,3-Dihydro-1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-pentanoyl-amino}-3-methyl-butyric acid", 'Valsartan', "(S)-3-Methyl-2-{pentanoyl-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid", "3-Methyl-2-{((S)-pentanoyl)-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid", 'SID26719825', 'Valsartan', "(S)-3-Methyl-2-{pentanoyl-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-amino}-butyric acid", 'Valsartan', 'Valsartan', 'Valsartan', 'Valsartan', 'Valsartan', 'valsartan', 'valsartan', "(S)-2-(N-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)pentanamido)-3-methylbutanoic acid", 'Valsartan', 'Valsartan', 'Valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'Co-diovan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'Valsartan', 'Valsartan', 'Valsartan', 'valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', None, 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'Valsartan', 'Valsartan', 'VALSARTAN', 'Valsartan', 'Valsartan', 'VALSARTAN', 'valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'Valsartan', 'VALSARTAN', 'VALSARTAN', 'C0164711', 'VALSARTAN', 'Valsartan', 'Valsartan', 'VALSARTAN', 'VALSARTAN', 'VALSARTAN', 'VALSARTAN', 'Valsartan', 'Valsartan', 'Valsartan']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure