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Ligand

NameCHEMBL2110202
Molecular formulaC25H29N9O2
IUPAC name1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[3-[(2H-tetrazol-5-ylamino)methyl]phenyl]urea
Molecular weight487.568
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP3.2
SynonymsSCHEMBL9545564
BDBM50454482
1-[(2,3-Dihydro-1-methyl-5-cyclohexyl-2-oxo-1H-1,4-benzodiazepin)-3alpha-yl]-3-[3-[[(1H-tetrazol-5-yl)amino]methyl]phenyl]urea
Inchi KeyAFCASZXVWNVMJE-QFIPXVFZSA-N
Inchi IDInChI=1S/C25H29N9O2/c1-34-20-13-6-5-12-19(20)21(17-9-3-2-4-10-17)28-22(23(34)35)29-25(36)27-18-11-7-8-16(14-18)15-26-24-30-32-33-31-24/h5-8,11-14,17,22H,2-4,9-10,15H2,1H3,(H2,27,29,36)(H2,26,30,31,32,33)/t22-/m0/s1
PubChem CID10719765
ChEMBLCHEMBL2110202
IUPHARN/A
BindingDB50454482
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4026Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
4025Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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