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Ligand

NameCHEMBL3943089
Molecular formulaC26H32ClN3O2
IUPAC name1-[[3-[(2-chlorobenzoyl)amino]phenyl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight454.011
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.8
SynonymsBDBM243625
US9428456, 1.050
Inchi KeyBYZODOODQBEZRS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32ClN3O2/c27-24-12-5-4-11-23(24)26(32)29-22-10-6-7-19(17-22)18-30-15-13-20(14-16-30)25(31)28-21-8-2-1-3-9-21/h4-7,10-12,17,20-21H,1-3,8-9,13-16,18H2,(H,28,31)(H,29,32)
PubChem CID129626031
ChEMBLCHEMBL3943089
IUPHARN/A
BindingDB243625
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
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GLASS IDNameUniProtGeneSpeciesLength
534056Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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