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Ligand

NameCHEMBL3924510
Molecular formulaC24H29F3N6O2
IUPAC nameN-[2-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]pyrimidin-4-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight490.531
Hydrogen bond acceptor9
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM243570
US9428456, 1.284
Inchi KeyBUEKMZAAXYBCJP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29F3N6O2/c25-24(26,27)19-8-4-7-18(30-19)23(35)32-20-9-12-28-21(31-20)15-33-13-10-16(11-14-33)22(34)29-17-5-2-1-3-6-17/h4,7-9,12,16-17H,1-3,5-6,10-11,13-15H2,(H,29,34)(H,28,31,32,35)
PubChem CID129625991
ChEMBLCHEMBL3924510
IUPHARN/A
BindingDB243570
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
534041Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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