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Ligand

NameCHEMBL253733
Molecular formulaC27H36F4N4O2
IUPAC name1-[1-[[9-(2,2-dimethylpropanoyl)-9-azabicyclo[3.3.1]non-2-en-3-yl]methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight524.605
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP4.4
Synonyms1-(3-fluoro-5-(trifluoromethyl)phenyl)-3-(1-((9-pivaloyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)piperidin-4-yl)urea
BDBM50227861
Inchi KeyBWCFXDSZIVLIME-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H36F4N4O2/c1-26(2,3)24(36)35-22-5-4-6-23(35)12-17(11-22)16-34-9-7-20(8-10-34)32-25(37)33-21-14-18(27(29,30)31)13-19(28)15-21/h11,13-15,20,22-23H,4-10,12,16H2,1-3H3,(H2,32,33,37)
PubChem CID44446451
ChEMBLCHEMBL253733
IUPHARN/A
BindingDB50227861
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
34317C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
34318C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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