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Ligand

NameCHEMBL3966751
Molecular formulaC25H28ClF3N4O2
IUPAC nameN-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight508.97
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM243789
SCHEMBL17270138
US9428456, 1.218
Inchi KeyDGCVFUGXQJATEQ-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H28ClF3N4O2/c26-20-9-8-19(31-24(35)21-6-3-7-22(32-21)25(27,28)29)14-17(20)15-33-12-10-16(11-13-33)23(34)30-18-4-1-2-5-18/h3,6-9,14,16,18H,1-2,4-5,10-13,15H2,(H,30,34)(H,31,35)
PubChem CID118521852
ChEMBLCHEMBL3966751
IUPHARN/A
BindingDB243789
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
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GLASS IDNameUniProtGeneSpeciesLength
534174Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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