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Ligand

NameCHEMBL3946666
Molecular formulaC26H31F3N4O2
IUPAC nameN-[3-[[4-(cyclohexylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-3-carboxamide
Molecular weight488.555
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM243633
US9428456, 1.058
Inchi KeyCRYWTAHXYGPGSZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H31F3N4O2/c27-26(28,29)21-14-20(15-30-16-21)25(35)32-23-8-4-5-18(13-23)17-33-11-9-19(10-12-33)24(34)31-22-6-2-1-3-7-22/h4-5,8,13-16,19,22H,1-3,6-7,9-12,17H2,(H,31,34)(H,32,35)
PubChem CID72705602
ChEMBLCHEMBL3946666
IUPHARN/A
BindingDB243633
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
534129Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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