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Ligand

NameCHEMBL3933763
Molecular formulaC24H29F3N4O3
IUPAC nameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-1-oxido-6-(trifluoromethyl)pyridin-1-ium-2-carboxamide
Molecular weight478.516
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.5
SynonymsSCHEMBL17270214
BDBM243727
US9428456, 1.345
Inchi KeyCJAUPRJSNJGFTP-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H29F3N4O3/c1-23(2,3)29-21(32)17-10-12-30(13-11-17)15-16-6-4-7-18(14-16)28-22(33)19-8-5-9-20(31(19)34)24(25,26)27/h4-9,14,17H,10-13,15H2,1-3H3,(H,28,33)(H,29,32)
PubChem CID118521918
ChEMBLCHEMBL3933763
IUPHARN/A
BindingDB243727
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
534094Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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