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Ligand

NameCHEMBL339115
Molecular formulaC22H31ClN2O4
IUPAC name4-[(3-chlorobenzoyl)amino]-5-[(4,4-diethylcyclohexyl)amino]-5-oxopentanoic acid
Molecular weight422.95
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.6
Synonyms4-(3-Chloro-benzoylamino)-4-(4,4-diethyl-cyclohexylcarbamoyl)-butyric acid
BDBM50008217
Inchi KeyAFCWKTHKVQUQFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H31ClN2O4/c1-3-22(4-2)12-10-17(11-13-22)24-21(29)18(8-9-19(26)27)25-20(28)15-6-5-7-16(23)14-15/h5-7,14,17-18H,3-4,8-13H2,1-2H3,(H,24,29)(H,25,28)(H,26,27)
PubChem CID44349391
ChEMBLCHEMBL339115
IUPHARN/A
BindingDB50008217
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
4044Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
4045Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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