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Ligand

NameCHEMBL254537
Molecular formulaC26H34F4N4O2
IUPAC name1-[1-[[8-(2,2-dimethylpropanoyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight510.578
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.0
Synonyms1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((8-pivaloyl-8-aza-bicyclo[3.2.1]oct-2-en-3-yl)methyl)piperidin-4-yl)urea
BDBM50227865
Inchi KeyCDCZLRGESVEODJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34F4N4O2/c1-25(2,3)23(35)34-21-4-5-22(34)11-16(10-21)15-33-8-6-19(7-9-33)31-24(36)32-20-13-17(26(28,29)30)12-18(27)14-20/h10,12-14,19,21-22H,4-9,11,15H2,1-3H3,(H2,31,32,36)
PubChem CID44446445
ChEMBLCHEMBL254537
IUPHARN/A
BindingDB50227865
DrugBankN/A

Structure

SDF download

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

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
39166C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
39167C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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