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Ligand

NameCHEMBL234100
Molecular formulaC27H32ClN3O2
IUPAC name2-(2-chlorophenyl)-2-cyclohex-2-en-1-yl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide
Molecular weight466.022
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.7
SynonymsBDBM50423100
Inchi KeyAUYZLYFQFBCESA-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32ClN3O2/c28-24-11-5-4-10-23(24)26(21-8-2-1-3-9-21)27(33)30-22-14-17-31(18-15-22)25(32)13-12-20-7-6-16-29-19-20/h2,4-8,10-11,16,19,21-22,26H,1,3,9,12-15,17-18H2,(H,30,33)
PubChem CID44430546
ChEMBLCHEMBL234100
IUPHARN/A
BindingDB50423100
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: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
15073C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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