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Ligand

NameCHEMBL342614
Molecular formulaC24H19ClN4O4
IUPAC name2-[3-[(4-chlorophenyl)carbamoylamino]-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl]acetic acid
Molecular weight462.89
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP3.7
SynonymsSCHEMBL9868733
BDBM50043523
{3-[3-(4-Chloro-phenyl)-ureido]-2-oxo-5-phenyl-2,3-dihydro-benzo[e][1,4]diazepin-1-yl}-acetic acid
Inchi KeyATWKQVLIEKWIPD-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H19ClN4O4/c25-16-10-12-17(13-11-16)26-24(33)28-22-23(32)29(14-20(30)31)19-9-5-4-8-18(19)21(27-22)15-6-2-1-3-7-15/h1-13,22H,14H2,(H,30,31)(H2,26,28,33)
PubChem CID10389643
ChEMBLCHEMBL342614
IUPHARN/A
BindingDB50043523
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
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GLASS IDNameUniProtGeneSpeciesLength
14380Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
14379Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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