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Ligand

NameCHEMBL21770
Molecular formulaC19H13FN2OS
IUPAC name5-(2-fluorophenyl)-3-thiophen-3-yl-1,3-dihydro-1,4-benzodiazepin-2-one
Molecular weight336.384
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP3.9
SynonymsBDBM50019819
SCHEMBL9526370
5-(2-Fluoro-phenyl)-3-thiophen-3-yl-1,3-dihydro-benzo[e][1,4]diazepin-2-one
Inchi KeyBROFGDYGYPYIGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H13FN2OS/c20-15-7-3-1-5-13(15)18-14-6-2-4-8-16(14)21-19(23)17(22-18)12-9-10-24-11-12/h1-11,17H,(H,21,23)
PubChem CID15167772
ChEMBLCHEMBL21770
IUPHARN/A
BindingDB50019819
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
31174Cholecystokinin receptor type AQ63931CCKARCavia porcellus (Guinea pig)430
31175Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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