Bioactive Compound Details

BioIDbio97981
NamePRATOSARTAN
ChEMBL IDCHEMBL41194
Molecular FormulaC25H26N6O
Molecular Weight426.52
Molecular Weight (Monoisotopic)426.2168
TypeSmall molecule
Max PhasePhase 2
Target IDTar53
Target NameNone
SynonymsDA-727|DA727|KT-3671|KT3-671|Pratosartan
SmilesCCCc1nc2c(n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)C(=O)CCCC2
InchiInChI=1S/C25H26N6O/c1-2-7-23-26-21-10-5-6-11-22(32)24(21)31(23)16-17-12-14-18(15-13-17)19-8-3-4-9-20(19)25-27-29-30-28-25/h3-4,8-9,12-15H,2,5-7,10-11,16H2,1H3,(H,27,28,29,30)
Inchi KeyKCTFTBCZZUBAKN-UHFFFAOYSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities7.0
Np Likeness Score-1.17
Records Key['KT3-671', '11c', '143, KT 3-671', 'KT3-671', 'PRATOSARTAN', 'PRATOSARTAN']
Records Name[2-Propyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5,6,7,8-tetrahydro-3H-cycloheptaimidazol-4-one", "2-Propyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5,6,7,8-tetrahydro-3H-cycloheptaimidazol-4-one", "3-((2'-(1H-tetrazol-5-yl)biphenyl-4-yl)methyl)-2-propyl-5,6,7,8-tetrahydrocyclohepta[d]imidazol-4(3H)-one", "2-Propyl-3-[2'-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-5,6,7,8-tetrahydro-3H-cycloheptaimidazol-4-one", 'PRATOSARTAN', 'PRATOSARTAN']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure