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Ligand

NameCHEMBL71613
Molecular formulaC29H39N7O
IUPAC name5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2-(3,5,5-trimethylhexyl)-1,2,4-triazol-3-one
Molecular weight501.679
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP6.7
Synonyms5-Butyl-4-[2''-(1H-tetrazol-5-yl)-biphenyl-4-ylmethyl]-2-(3,5,5-trimethyl-hexyl)-2,4-dihydro-[1,2,4]triazol-3-one
4-[[2'-(1H-Tetrazol-5-yl)-1,1'-biphenyl-4-yl]methyl]-2-(3,5,5-trimethylhexyl)-5-butyl-2H-1,2,4-triazol-3(4H)-one
BDBM50044336
SCHEMBL7392511
Inchi KeyDVRJARPEZUOMAP-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H39N7O/c1-6-7-12-26-32-36(18-17-21(2)19-29(3,4)5)28(37)35(26)20-22-13-15-23(16-14-22)24-10-8-9-11-25(24)27-30-33-34-31-27/h8-11,13-16,21H,6-7,12,17-20H2,1-5H3,(H,30,31,33,34)
PubChem CID14951061
ChEMBLCHEMBL71613
IUPHARN/A
BindingDB50044336
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
70153Type-1B angiotensin II receptorP29089Agtr1bRattus norvegicus (Rat)359

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