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Ligand

NameCHEMBL3980568
Molecular formulaC25H31ClN4O2
IUPAC name1-[[2-[(4-chlorobenzoyl)amino]pyridin-4-yl]methyl]-N-cyclohexylpiperidine-4-carboxamide
Molecular weight454.999
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM243718
US9428456, 3.002
Inchi KeyCPUOXICZQUHFQE-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31ClN4O2/c26-21-8-6-19(7-9-21)25(32)29-23-16-18(10-13-27-23)17-30-14-11-20(12-15-30)24(31)28-22-4-2-1-3-5-22/h6-10,13,16,20,22H,1-5,11-12,14-15,17H2,(H,28,31)(H,27,29,32)
PubChem CID129626094
ChEMBLCHEMBL3980568
IUPHARN/A
BindingDB243718
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
534120Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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