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Ligand

NameCHEMBL3935694
Molecular formulaC29H39N5O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-pyrrolidin-1-ylpyridine-2-carboxamide
Molecular weight489.664
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL17270282
BDBM243753
US9428456, 1.084
Inchi KeyCXHNWHUJHRHNAJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C29H39N5O2/c35-28(31-24-8-2-1-3-9-24)23-13-17-33(18-14-23)21-22-7-6-10-25(19-22)32-29(36)27-12-11-26(20-30-27)34-15-4-5-16-34/h6-7,10-12,19-20,23-24H,1-5,8-9,13-18,21H2,(H,31,35)(H,32,36)
PubChem CID72703022
ChEMBLCHEMBL3935694
IUPHARN/A
BindingDB243753
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
534156Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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