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Ligand

NameCHEMBL3979681
Molecular formulaC25H31F3N4O2
IUPAC nameN-[3-[[4-(2-methylbutan-2-ylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight476.544
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.0
SynonymsSCHEMBL17270208
BDBM243723
US9428456, 1.341
Inchi KeyAQMDBICDZCZPRO-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H31F3N4O2/c1-4-24(2,3)31-22(33)18-10-12-32(13-11-18)16-17-6-5-7-20(14-17)30-23(34)21-9-8-19(15-29-21)25(26,27)28/h5-9,14-15,18H,4,10-13,16H2,1-3H3,(H,30,34)(H,31,33)
PubChem CID118521912
ChEMBLCHEMBL3979681
IUPHARN/A
BindingDB243723
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
533964Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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