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Ligand

NameCHEMBL136412
Molecular formulaC24H20N4O4
IUPAC name3-[(1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl)carbamoylamino]benzoic acid
Molecular weight428.448
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.0
SynonymsSCHEMBL9423022
BDBM50043539
L005280
3-[3-(1-Methyl-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)-ureido]-benzoic acid
Inchi KeyBQXGDXMVEHGGNW-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H20N4O4/c1-28-19-13-6-5-12-18(19)20(15-8-3-2-4-9-15)26-21(22(28)29)27-24(32)25-17-11-7-10-16(14-17)23(30)31/h2-14,21H,1H3,(H,30,31)(H2,25,27,32)
PubChem CID9823890
ChEMBLCHEMBL136412
IUPHARN/A
BindingDB50043539
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
30737Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
30736Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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