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Ligand

NameCHEMBL234523
Molecular formulaC27H33N3O2
IUPAC name2-cyclohexyl-2-phenyl-N-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]acetamide
Molecular weight431.58
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50423066
Inchi KeyCENVSZJSDHGUKD-BUHFOSPRSA-N
Inchi IDInChI=1S/C27H33N3O2/c31-25(14-13-21-8-7-17-28-20-21)30-18-15-24(16-19-30)29-27(32)26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1,3-4,7-10,13-14,17,20,23-24,26H,2,5-6,11-12,15-16,18-19H2,(H,29,32)/b14-13+
PubChem CID44430556
ChEMBLCHEMBL234523
IUPHARN/A
BindingDB50423066
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
40086C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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