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Ligand

NameCHEMBL3922915
Molecular formulaC28H37N3O2
IUPAC nameN-cyclohexyl-1-[[3-[(2,6-dimethylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight447.623
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.9
SynonymsBDBM243870
US9428456, 1.108
Inchi KeyDJDTWTGIORYELG-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37N3O2/c1-20-8-6-9-21(2)26(20)28(33)30-25-13-7-10-22(18-25)19-31-16-14-23(15-17-31)27(32)29-24-11-4-3-5-12-24/h6-10,13,18,23-24H,3-5,11-12,14-17,19H2,1-2H3,(H,29,32)(H,30,33)
PubChem CID129626177
ChEMBLCHEMBL3922915
IUPHARN/A
BindingDB243870
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
534185Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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