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Ligand

NameCHEMBL70883
Molecular formulaC28H23FN4O4
IUPAC nameethyl 2-[5-(2-fluorophenyl)-3-(1H-indole-2-carbonylamino)-2-oxo-3H-1,4-benzodiazepin-1-yl]acetate
Molecular weight498.514
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.5
SynonymsSCHEMBL9865119
BDBM50019178
{5-(2-Fluoro-phenyl)-3-[(1H-indole-2-carbonyl)-amino]-2-oxo-2,3-dihydro-benzo[e][1,4]diazepin-1-yl}-acetic acid ethyl ester: 0.1C4H10O
Inchi KeyATZKJWWUDVCPPQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H23FN4O4/c1-2-37-24(34)16-33-23-14-8-5-11-19(23)25(18-10-4-6-12-20(18)29)31-26(28(33)36)32-27(35)22-15-17-9-3-7-13-21(17)30-22/h3-15,26,30H,2,16H2,1H3,(H,32,35)
PubChem CID14208237
ChEMBLCHEMBL70883
IUPHARN/A
BindingDB50019178
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
14454Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
14453Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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