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Ligand

NameCHEMBL3972023
Molecular formulaC28H37N3O2
IUPAC nameN-cyclohexyl-1-[[3-(3-phenylpropanoylamino)phenyl]methyl]piperidine-4-carboxamide
Molecular weight447.623
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM243609
US9428456, 1.034
Inchi KeyCIJSUDVKQRGPCF-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37N3O2/c32-27(15-14-22-8-3-1-4-9-22)29-26-13-7-10-23(20-26)21-31-18-16-24(17-19-31)28(33)30-25-11-5-2-6-12-25/h1,3-4,7-10,13,20,24-25H,2,5-6,11-12,14-19,21H2,(H,29,32)(H,30,33)
PubChem CID129626019
ChEMBLCHEMBL3972023
IUPHARN/A
BindingDB243609
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
534093Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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