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Ligand

NameCHEMBL233232
Molecular formulaC28H35N3O2
IUPAC name(E)-3-cyclohexyl-2-phenyl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]prop-2-enamide
Molecular weight445.607
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.0
SynonymsBDBM50423099
Inchi KeyCQJHTWQUBNDJEJ-LHLOQNFPSA-N
Inchi IDInChI=1S/C28H35N3O2/c32-27(14-13-23-10-7-17-29-21-23)31-18-15-25(16-19-31)30-28(33)26(24-11-5-2-6-12-24)20-22-8-3-1-4-9-22/h2,5-7,10-12,17,20-22,25H,1,3-4,8-9,13-16,18-19H2,(H,30,33)/b26-20+
PubChem CID44430529
ChEMBLCHEMBL233232
IUPHARN/A
BindingDB50423099
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
48132C3a anaphylatoxin chemotactic receptorQ16581C3AR1Homo sapiens (Human)482

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