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Ligand

NameCHEMBL343158
Molecular formulaC21H18FN3OS
IUPAC nameN-[[5-(2-fluorophenyl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]methyl]thiophene-3-carboxamide
Molecular weight379.453
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.8
SynonymsSCHEMBL9524932
BDBM50013204
Thiophene-3-carboxylic acid [5-(2-fluoro-phenyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-ylmethyl]-amide
Inchi KeyAADSIEWMSHPCSV-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H18FN3OS/c22-18-7-3-1-5-16(18)20-17-6-2-4-8-19(17)23-11-15(25-20)12-24-21(26)14-9-10-27-13-14/h1-10,13,15,23H,11-12H2,(H,24,26)
PubChem CID15167799
ChEMBLCHEMBL343158
IUPHARN/A
BindingDB50013204
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
118Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
119Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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