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Ligand

NameCHEMBL86986
Molecular formulaC31H29N7O
IUPAC name5-butyl-2-(naphthalen-2-ylmethyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one
Molecular weight515.621
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.0
Synonyms5-Butyl-2-naphthalen-2-ylmethyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2,4-dihydro-[1,2,4]triazol-3-one
BDBM50044362
SCHEMBL7392413
5-Butyl-2-naphthalen-2-ylmethyl-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-(2-naphthylmethyl)-5-butyl-2H-1,2,4-triazol-3(4H)-one
Inchi KeyASSQJXCGYVVNGG-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H29N7O/c1-2-3-12-29-34-38(21-23-15-16-24-8-4-5-9-26(24)19-23)31(39)37(29)20-22-13-17-25(18-14-22)27-10-6-7-11-28(27)30-32-35-36-33-30/h4-11,13-19H,2-3,12,20-21H2,1H3,(H,32,33,35,36)
PubChem CID14956803
ChEMBLCHEMBL86986
IUPHARN/A
BindingDB50044362
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
13487Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
13488Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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