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Ligand

NameCHEMBL306958
Molecular formulaC23H19FN4O2
IUPAC name3-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-1-methyl-1-phenylurea
Molecular weight402.429
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsBDBM50019234
3-[5-(2-Fluoro-phenyl)-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl]-1-methyl-1-phenyl-urea: 0.55CHCl3
Inchi KeyBCAYFVWDGNYAJC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H19FN4O2/c1-28(15-9-3-2-4-10-15)23(30)27-21-22(29)25-19-14-8-6-12-17(19)20(26-21)16-11-5-7-13-18(16)24/h2-14,21H,1H3,(H,25,29)(H,27,30)
PubChem CID44311593
ChEMBLCHEMBL306958
IUPHARN/A
BindingDB50019234
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
20006Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
20007Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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