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Ligand

NameCHEMBL168253
Molecular formulaC26H31N9O2
IUPAC name1-[(3R)-5-cyclohexyl-1-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-3-[4-methyl-3-[methyl(2H-tetrazol-5-yl)amino]phenyl]urea
Molecular weight501.595
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.8
Synonyms1-[(2,3-Dihydro-1-methyl-5-cyclohexyl-2-oxo-1H-1,4-benzodiazepin)-3alpha-yl]-3-[3-[(1H-tetrazol-5-yl)(methyl)amino]-4-methylphenyl]urea
1-((R)-5-Cyclohexyl-1-methyl-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-3-{4-methyl-3-[methyl-(1H-tetrazol-5-yl)-amino]-phenyl}-urea
BDBM50049785
SCHEMBL9545573
Inchi KeyBIOMOYOMCAMNGH-QHCPKHFHSA-N
Inchi IDInChI=1S/C26H31N9O2/c1-16-13-14-18(15-21(16)35(3)25-30-32-33-31-25)27-26(37)29-23-24(36)34(2)20-12-8-7-11-19(20)22(28-23)17-9-5-4-6-10-17/h7-8,11-15,17,23H,4-6,9-10H2,1-3H3,(H2,27,29,37)(H,30,31,32,33)/t23-/m0/s1
PubChem CID10673039
ChEMBLCHEMBL168253
IUPHARN/A
BindingDB50049785
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
24619Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
24618Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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