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Ligand

NameCHEMBL3982702
Molecular formulaC24H31FN4O2
IUPAC nameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]-4-fluorophenyl]-5-methylpyridine-3-carboxamide
Molecular weight426.536
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP2.7
SynonymsBDBM243967
US9428456, 4.019
Inchi KeyAKPQWVFYNAMCKR-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H31FN4O2/c1-16-11-18(14-26-13-16)22(30)27-20-5-6-21(25)19(12-20)15-29-9-7-17(8-10-29)23(31)28-24(2,3)4/h5-6,11-14,17H,7-10,15H2,1-4H3,(H,27,30)(H,28,31)
PubChem CID129626248
ChEMBLCHEMBL3982702
IUPHARN/A
BindingDB243967
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
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
533938Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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