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Ligand

NameCHEMBL356631
Molecular formulaC34H38N4O3
IUPAC name1-[1-(3-cyclohexyl-3-methyl-2-oxobutyl)-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]-3-(3-methylphenyl)urea
Molecular weight550.703
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP7.1
Synonyms1-[1-(3-Cyclohexyl-3-methyl-2-oxo-butyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-3-m-tolyl-urea
BDBM50286889
SCHEMBL6938324
Inchi KeyCBAYBXDILWLZCQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H38N4O3/c1-23-13-12-18-26(21-23)35-33(41)37-31-32(40)38(22-29(39)34(2,3)25-16-8-5-9-17-25)28-20-11-10-19-27(28)30(36-31)24-14-6-4-7-15-24/h4,6-7,10-15,18-21,25,31H,5,8-9,16-17,22H2,1-3H3,(H2,35,37,41)
PubChem CID21842353
ChEMBLCHEMBL356631
IUPHARN/A
BindingDB50286889
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
37687Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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