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Ligand

NameCHEMBL3925733
Molecular formulaC28H37N3O2
IUPAC nameN-cyclohexyl-1-[[3-[(4-ethylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
Molecular weight447.623
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP5.0
SynonymsBDBM243859
US9428456, 1.097
Inchi KeyCZDAJXDOAMQKJQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H37N3O2/c1-2-21-11-13-23(14-12-21)27(32)30-26-10-6-7-22(19-26)20-31-17-15-24(16-18-31)28(33)29-25-8-4-3-5-9-25/h6-7,10-14,19,24-25H,2-5,8-9,15-18,20H2,1H3,(H,29,33)(H,30,32)
PubChem CID129626170
ChEMBLCHEMBL3925733
IUPHARN/A
BindingDB243859
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
534161Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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