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Ligand

NameCHEMBL304329
Molecular formulaC28H29N7O2
IUPAC name5-butyl-2-(2-hydroxy-2-phenylethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight495.587
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.1
SynonymsL006305
5-Butyl-2-(2-hydroxy-2-phenyl-ethyl)-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
SCHEMBL7396240
4-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(2-hydroxy-2-phenylethyl)-5-butyl-2H-1,2,4-triazol-3(4H)-one
BDBM50044345
Inchi KeyALBYDBQPQVBCCO-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H29N7O2/c1-2-3-13-26-31-35(19-25(36)22-9-5-4-6-10-22)28(37)34(26)18-20-14-16-21(17-15-20)23-11-7-8-12-24(23)27-29-32-33-30-27/h4-12,14-17,25,36H,2-3,13,18-19H2,1H3,(H,29,30,32,33)
PubChem CID23590373
ChEMBLCHEMBL304329
IUPHARN/A
BindingDB50044345
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
8123Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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