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Ligand

NameCHEMBL3984153
Molecular formulaC26H33ClN4O2
IUPAC name4-chloro-N-[3-[1-[4-(cyclohexylcarbamoyl)piperidin-1-yl]ethyl]phenyl]pyridine-2-carboxamide
Molecular weight469.026
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM243658
US9428456, 1.180
Inchi KeyDESFFPFSGVTKKX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H33ClN4O2/c1-18(31-14-11-19(12-15-31)25(32)29-22-7-3-2-4-8-22)20-6-5-9-23(16-20)30-26(33)24-17-21(27)10-13-28-24/h5-6,9-10,13,16-19,22H,2-4,7-8,11-12,14-15H2,1H3,(H,29,32)(H,30,33)
PubChem CID129626056
ChEMBLCHEMBL3984153
IUPHARN/A
BindingDB243658
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
537411Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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