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Ligand

NameCHEMBL124917
Molecular formulaC20H29ClN2O4
IUPAC name4-[(3-chlorobenzoyl)amino]-5-(2-ethylhexylamino)-5-oxopentanoic acid
Molecular weight396.912
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.2
SynonymsBDBM50008168
4-(3-Chloro-benzoylamino)-4-(2-ethyl-hexylcarbamoyl)-butyric acid
Inchi KeyACLQSJUIELMEPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H29ClN2O4/c1-3-5-7-14(4-2)13-22-20(27)17(10-11-18(24)25)23-19(26)15-8-6-9-16(21)12-15/h6,8-9,12,14,17H,3-5,7,10-11,13H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)
PubChem CID44349412
ChEMBLCHEMBL124917
IUPHARN/A
BindingDB50008168
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
1679Cholecystokinin receptor type AP30551CckarRattus norvegicus (Rat)444
1680Gastrin/cholecystokinin type B receptorP30553CckbrRattus norvegicus (Rat)452

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