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Ligand

NameCHEMBL331413
Molecular formulaC21H31ClN2O4
IUPAC name4-[(3-chlorobenzoyl)amino]-5-(3,3-diethylpentylamino)-5-oxopentanoic acid
Molecular weight410.939
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.8
SynonymsBDBM50008166
SCHEMBL9358422
4-(3-Chloro-benzoylamino)-4-(3,3-diethyl-pentylcarbamoyl)-butyric acid
Inchi KeyBKLLKPJWIZCXKY-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H31ClN2O4/c1-4-21(5-2,6-3)12-13-23-20(28)17(10-11-18(25)26)24-19(27)15-8-7-9-16(22)14-15/h7-9,14,17H,4-6,10-13H2,1-3H3,(H,23,28)(H,24,27)(H,25,26)
PubChem CID44349413
ChEMBLCHEMBL331413
IUPHARN/A
BindingDB50008166
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
25888Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
25887Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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