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Ligand

NameCHEMBL3957872
Molecular formulaC24H28BrF3N4O2
IUPAC nameN-[3-bromo-5-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-(trifluoromethyl)pyridine-2-carboxamide
Molecular weight541.413
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM243565
US9428456, 1.279
Inchi KeyAQJBYKGEYOOGIV-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H28BrF3N4O2/c1-23(2,3)31-21(33)16-7-9-32(10-8-16)14-15-11-17(25)13-18(12-15)29-22(34)19-5-4-6-20(30-19)24(26,27)28/h4-6,11-13,16H,7-10,14H2,1-3H3,(H,29,34)(H,31,33)
PubChem CID129625988
ChEMBLCHEMBL3957872
IUPHARN/A
BindingDB243565
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
533963Atypical chemokine receptor 3P25106ACKR3Homo sapiens (Human)362

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