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Ligand

NameCHEMBL3937850
Molecular formulaC26H34N4O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
Molecular weight434.584
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP3.5
SynonymsUS9428456, 1.060
US9428456, 6.001
BDBM243635
Inchi KeyBOKVYEOYYVYULI-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34N4O2/c1-19-14-22(17-27-16-19)26(32)29-24-9-5-6-20(15-24)18-30-12-10-21(11-13-30)25(31)28-23-7-3-2-4-8-23/h5-6,9,14-17,21,23H,2-4,7-8,10-13,18H2,1H3,(H,28,31)(H,29,32)
PubChem CID72705417
ChEMBLCHEMBL3937850
IUPHARN/A
BindingDB243635
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
534016Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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