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Ligand

NameCHEMBL253102
Molecular formulaC25H32F4N4O2
IUPAC name1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-[1-[[8-(2-methylpropanoyl)-8-azabicyclo[3.2.1]oct-2-en-3-yl]methyl]piperidin-4-yl]urea
Molecular weight496.551
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.7
Synonyms1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((8-isobutyryl-8-aza-bicyclo[3.2.1]oct-2-en-3-yl)methyl)piperidin-4-yl)urea
BDBM50227873
Inchi KeyGGBWNPOUKFVSCD-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H32F4N4O2/c1-15(2)23(34)33-21-3-4-22(33)10-16(9-21)14-32-7-5-19(6-8-32)30-24(35)31-20-12-17(25(27,28)29)11-18(26)13-20/h9,11-13,15,19,21-22H,3-8,10,14H2,1-2H3,(H2,30,31,35)
PubChem CID44446441
ChEMBLCHEMBL253102
IUPHARN/A
BindingDB50227873
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
95561C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
95562C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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