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Ligand

NameCHEMBL313222
Molecular formulaC29H31N7O
IUPAC name5-butyl-2-(3-phenylpropyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight493.615
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP5.6
Synonyms5-Butyl-2-(3-phenyl-propyl)-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
BDBM50044364
L006303
5-Butyl-2-(3-phenyl-propyl)-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
4-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(3-phenylpropyl)-5-butyl-2H-1,2,4-triazol-3(4H)-one
[ Show all ]
Inchi KeyCSQXFYGNSGJKRX-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H31N7O/c1-2-3-15-27-32-36(20-9-12-22-10-5-4-6-11-22)29(37)35(27)21-23-16-18-24(19-17-23)25-13-7-8-14-26(25)28-30-33-34-31-28/h4-8,10-11,13-14,16-19H,2-3,9,12,15,20-21H2,1H3,(H,30,31,33,34)
PubChem CID14956804
ChEMBLCHEMBL313222
IUPHARN/A
BindingDB50044364
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
49657Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
49658Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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