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Ligand

NameCHEMBL3890801
Molecular formulaC25H31ClN4O2
IUPAC name5-chloro-N-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridine-2-carboxamide
Molecular weight454.999
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.1
SynonymsBDBM243763
SCHEMBL17270145
US9428456, 1.094
Inchi KeyCLSCXDVSGIDHTJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31ClN4O2/c26-20-9-10-23(27-16-20)25(32)29-22-8-4-5-18(15-22)17-30-13-11-19(12-14-30)24(31)28-21-6-2-1-3-7-21/h4-5,8-10,15-16,19,21H,1-3,6-7,11-14,17H2,(H,28,31)(H,29,32)
PubChem CID72703641
ChEMBLCHEMBL3890801
IUPHARN/A
BindingDB243763
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
534102Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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