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Ligand

NameCHEMBL3929887
Molecular formulaC29H34N4O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]isoquinoline-8-carboxamide
Molecular weight470.617
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM243491
US9428456, 1.010
Inchi KeyCBEAPPSWJHTQSO-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H34N4O2/c34-28(31-24-8-2-1-3-9-24)23-13-16-33(17-14-23)20-21-6-4-10-25(18-21)32-29(35)26-11-5-7-22-12-15-30-19-27(22)26/h4-7,10-12,15,18-19,23-24H,1-3,8-9,13-14,16-17,20H2,(H,31,34)(H,32,35)
PubChem CID129625942
ChEMBLCHEMBL3929887
IUPHARN/A
BindingDB243491
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
534072Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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