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Ligand

NameCHEMBL3922943
Molecular formulaC23H29FN4O2
IUPAC nameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-fluoropyridine-2-carboxamide
Molecular weight412.509
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.7
SynonymsSCHEMBL17270279
BDBM243974
US9428456, 4.020
Inchi KeyBQVINWDFLPALKA-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H29FN4O2/c1-23(2,3)27-21(29)17-9-11-28(12-10-17)15-16-5-4-6-19(13-16)26-22(30)20-8-7-18(24)14-25-20/h4-8,13-14,17H,9-12,15H2,1-3H3,(H,26,30)(H,27,29)
PubChem CID118521967
ChEMBLCHEMBL3922943
IUPHARN/A
BindingDB243974
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
534026Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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