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Ligand

NameCHEMBL86741
Molecular formulaC25H24N8O
IUPAC name5-butyl-2-pyridin-2-yl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight452.522
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP4.1
SynonymsSCHEMBL9032584
5-Butyl-2-pyridin-2-yl-4-[2''-(2H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
4-[[2'-(2H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-5-butyl-2-(2-pyridyl)-2H-1,2,4-triazol-3(4H)-one
BDBM50044532
Inchi KeyANFUBGXTPBQOPP-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H24N8O/c1-2-3-10-23-29-33(22-11-6-7-16-26-22)25(34)32(23)17-18-12-14-19(15-13-18)20-8-4-5-9-21(20)24-27-30-31-28-24/h4-9,11-16H,2-3,10,17H2,1H3,(H,27,28,30,31)
PubChem CID14956774
ChEMBLCHEMBL86741
IUPHARN/A
BindingDB50044532
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
9517Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359

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