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Ligand

NameCHEMBL464244
Molecular formulaC23H31F4N3O4S
IUPAC name(2S)-4-[[(1'S,4'R)-7',7'-dimethylspiro[1,3-dioxolane-2,2'-bicyclo[2.2.1]heptane]-1'-yl]methylsulfonyl]-1-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]-2-methylpiperazine
Molecular weight521.572
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP3.6
SynonymsBDBM50412557
Inchi KeyRKXIJUWHKCDKAC-MRUHUIDDSA-N
Inchi IDInChI=1S/C23H31F4N3O4S/c1-15-13-29(6-7-30(15)19-18(24)10-17(12-28-19)23(25,26)27)35(31,32)14-21-5-4-16(20(21,2)3)11-22(21)33-8-9-34-22/h10,12,15-16H,4-9,11,13-14H2,1-3H3/t15-,16+,21-/m0/s1
PubChem CID44570274
ChEMBLCHEMBL464244
IUPHARN/A
BindingDB50412557
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
298686C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
298687C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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