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Ligand

NameCHEMBL140749
Molecular formulaC22H22FN3OS
IUPAC nameN-[[5-(2-fluorophenyl)-1-methyl-2,3,4,5-tetrahydro-1,4-benzodiazepin-2-yl]methyl]thiophene-3-carboxamide
Molecular weight395.496
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP3.7
SynonymsBDBM50013195
SCHEMBL9500460
Thiophene-3-carboxylic acid [5-(2-fluoro-phenyl)-1-methyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-amide
Inchi KeyABRBWCSLFALRPE-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H22FN3OS/c1-26-16(13-25-22(27)15-10-11-28-14-15)12-24-21(17-6-2-4-8-19(17)23)18-7-3-5-9-20(18)26/h2-11,14,16,21,24H,12-13H2,1H3,(H,25,27)
PubChem CID19766220
ChEMBLCHEMBL140749
IUPHARN/A
BindingDB50013195
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
1093Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
1092Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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