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Ligand

NameCHEMBL3957834
Molecular formulaC24H29FN4O2
IUPAC nameN-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-fluoropyridine-3-carboxamide
Molecular weight424.52
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM243786
US9428456, 1.215
Inchi KeyDGDCNPKRBYTIJY-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29FN4O2/c25-20-13-19(14-26-15-20)24(31)28-22-7-3-4-17(12-22)16-29-10-8-18(9-11-29)23(30)27-21-5-1-2-6-21/h3-4,7,12-15,18,21H,1-2,5-6,8-11,16H2,(H,27,30)(H,28,31)
PubChem CID72704458
ChEMBLCHEMBL3957834
IUPHARN/A
BindingDB243786
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
534175Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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