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Ligand

NameCHEMBL3968214
Molecular formulaC29H41N5O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(diethylamino)pyridine-3-carboxamide
Molecular weight491.68
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM243740
US9428456, 1.071
Inchi KeyDHPLJYKFPLTVPI-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H41N5O2/c1-3-34(4-2)27-14-13-24(20-30-27)29(36)32-26-12-8-9-22(19-26)21-33-17-15-23(16-18-33)28(35)31-25-10-6-5-7-11-25/h8-9,12-14,19-20,23,25H,3-7,10-11,15-18,21H2,1-2H3,(H,31,35)(H,32,36)
PubChem CID129626106
ChEMBLCHEMBL3968214
IUPHARN/A
BindingDB243740
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
534178Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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