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Ligand

NameCHEMBL22630
Molecular formulaC21H16FN3O4
IUPAC name(3S,4S)-1-(2-fluorophenyl)-5-oxo-4-(quinoline-3-carbonylamino)pyrrolidine-3-carboxylic acid
Molecular weight393.374
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.5
Synonyms(3S,4S)-1-(2-Fluoro-phenyl)-5-oxo-4-[(quinoline-3-carbonyl)-amino]-pyrrolidine-3-carboxylic acid
BDBM50280139
Inchi KeyAWUOWMONZJSVLQ-KSSFIOAISA-N
Inchi IDInChI=1S/C21H16FN3O4/c22-15-6-2-4-8-17(15)25-11-14(21(28)29)18(20(25)27)24-19(26)13-9-12-5-1-3-7-16(12)23-10-13/h1-10,14,18H,11H2,(H,24,26)(H,28,29)/t14-,18-/m0/s1
PubChem CID44458114
ChEMBLCHEMBL22630
IUPHARN/A
BindingDB50280139
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
16380Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
16381Gastrin/cholecystokinin type B receptorP32239CCKBRHomo sapiens (Human)447

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