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Ligand

NameCHEMBL479426
Molecular formulaC20H25F4N3O3S
IUPAC name(1S,4R)-1-[[4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight463.492
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP2.8
SynonymsBDBM50412564
Inchi KeyZSBAUNAHYMLNTH-BFUOFWGJSA-N
Inchi IDInChI=1S/C20H25F4N3O3S/c1-18(2)13-3-4-19(18,16(28)10-13)12-31(29,30)27-7-5-26(6-8-27)17-15(21)9-14(11-25-17)20(22,23)24/h9,11,13H,3-8,10,12H2,1-2H3/t13-,19-/m1/s1
PubChem CID44570385
ChEMBLCHEMBL479426
IUPHARN/A
BindingDB50412564
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: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
436126C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
436127C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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