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Ligand

NameCHEMBL3983752
Molecular formulaC23H29FN4O3
IUPAC nameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-fluoro-1-oxidopyridin-1-ium-2-carboxamide
Molecular weight428.508
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP1.7
SynonymsBDBM243955
SCHEMBL17270134
US9428456, 4.007
Inchi KeyBGNSXVDEUDTDIJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29FN4O3/c1-23(2,3)26-21(29)17-9-11-27(12-10-17)14-16-5-4-6-19(13-16)25-22(30)20-8-7-18(24)15-28(20)31/h4-8,13,15,17H,9-12,14H2,1-3H3,(H,25,30)(H,26,29)
PubChem CID118521850
ChEMBLCHEMBL3983752
IUPHARN/A
BindingDB243955
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
534001Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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