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Ligand

NameCHEMBL3972572
Molecular formulaC27H36N4O2
IUPAC nameN-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular weight448.611
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM243650
US9428456, 1.172
Inchi KeyCAUUQRYFNVYXEI-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H36N4O2/c1-19-15-23(18-28-17-19)27(33)30-25-10-6-7-22(16-25)20(2)31-13-11-21(12-14-31)26(32)29-24-8-4-3-5-9-24/h6-7,10,15-18,20-21,24H,3-5,8-9,11-14H2,1-2H3,(H,29,32)(H,30,33)
PubChem CID129626048
ChEMBLCHEMBL3972572
IUPHARN/A
BindingDB243650
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
536942Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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