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Ligand

NameCHEMBL3902012
Molecular formulaC29H34N4O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]isoquinoline-1-carboxamide
Molecular weight470.617
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM243502
SCHEMBL17270290
US9428456, 1.021
Inchi KeyCVJYDGBXGCEMDX-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34N4O2/c34-28(31-24-9-2-1-3-10-24)23-14-17-33(18-15-23)20-21-7-6-11-25(19-21)32-29(35)27-26-12-5-4-8-22(26)13-16-30-27/h4-8,11-13,16,19,23-24H,1-3,9-10,14-15,17-18,20H2,(H,31,34)(H,32,35)
PubChem CID72703021
ChEMBLCHEMBL3902012
IUPHARN/A
BindingDB243502
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
534148Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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