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Ligand

NameCHEMBL316482
Molecular formulaC31H33F3N4O5S
IUPAC namebutyl N-[2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]phenyl]sulfonylcarbamate
Molecular weight630.683
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP6.9
SynonymsBDBM50039927
N-[[4'-[[[1-[2-(Trifluoromethyl)phenyl]-3-butyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol]-4-yl]methyl]-1,1'-biphenyl-2-yl]sulfonyl]carbamic acid butyl ester
2-{4-[3-butyl-5-oxo-1-(2-trifluoromethylphenyl)-4,5-dihydro-1H-1,2,4-triazol-4-ylmethyl]phenyl}-1-(N-butoxycarbonyl)benzenesulfonamide
Inchi KeyBCSNTIJHQVSLMI-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H33F3N4O5S/c1-3-5-15-28-35-38(26-13-9-8-12-25(26)31(32,33)34)30(40)37(28)21-22-16-18-23(19-17-22)24-11-7-10-14-27(24)44(41,42)36-29(39)43-20-6-4-2/h7-14,16-19H,3-6,15,20-21H2,1-2H3,(H,36,39)
PubChem CID9960852
ChEMBLCHEMBL316482
IUPHARN/A
BindingDB50039927
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
20477Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
20478Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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