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Ligand

NameCHEMBL480016
Molecular formulaC21H27F4N3O3S
IUPAC name(1S,4R)-1-[[(3S)-4-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-3-methylpiperazin-1-yl]sulfonylmethyl]-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Molecular weight477.519
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50254678
(1S,4R)-1-(((S)-4-(3-fluoro-5-(trifluoromethyl)pyridin-2-yl)-3-methylpiperazin-1-ylsulfonyl)methyl)-7,7-dimethylbicyclo[2.2.1]heptan-2-one
Inchi KeyUIILMPGHICZFBB-LRDNONRASA-N
Inchi IDInChI=1S/C21H27F4N3O3S/c1-13-11-27(6-7-28(13)18-16(22)8-15(10-26-18)21(23,24)25)32(30,31)12-20-5-4-14(9-17(20)29)19(20,2)3/h8,10,13-14H,4-7,9,11-12H2,1-3H3/t13-,14+,20+/m0/s1
PubChem CID44570180
ChEMBLCHEMBL480016
IUPHARN/A
BindingDB50254678
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
337508C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
337509C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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