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Ligand

NameCHEMBL327569
Molecular formulaC33H28F3N5O4S
IUPAC nameN-(1,3-benzoxazol-2-yl)-2-[4-[[3-butyl-5-oxo-1-[2-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]methyl]phenyl]benzenesulfonamide
Molecular weight647.673
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP7.2
SynonymsBDBM50039869
SCHEMBL9148088
4''-[3-Butyl-5-oxo-1-(2-trifluoromethyl-phenyl)-1,5-dihydro-[1,2,4]triazol-4-ylmethyl]-biphenyl-2-sulfonic acid benzooxazol-2-ylamide
Inchi KeyBXRKFZIBTDBIGD-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H28F3N5O4S/c1-2-3-16-30-38-41(27-13-7-5-11-25(27)33(34,35)36)32(42)40(30)21-22-17-19-23(20-18-22)24-10-4-9-15-29(24)46(43,44)39-31-37-26-12-6-8-14-28(26)45-31/h4-15,17-20H,2-3,16,21H2,1H3,(H,37,39)
PubChem CID10349256
ChEMBLCHEMBL327569
IUPHARN/A
BindingDB50039869
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
35360Type-1 angiotensin II receptorP34976AGTR1Oryctolagus cuniculus (Rabbit)359
35359Type-2 angiotensin II receptorP35351Agtr2Rattus norvegicus (Rat)363

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