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Ligand

NameCHEMBL404736
Molecular formulaC24H30F4N4O2
IUPAC name1-[1-[(9-acetyl-9-azabicyclo[3.3.1]non-2-en-3-yl)methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight482.524
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50227863
1-(1-((9-acetyl-9-aza-bicyclo[3.3.1]non-2-en-3-yl)methyl)piperidin-4-yl)-3-(3-fluoro-5-(trifluoromethyl)phenyl)urea
Inchi KeyMWIHVEWWSLNWOC-UHFFFAOYSA-N
Inchi IDInChI=1S/C24H30F4N4O2/c1-15(33)32-21-3-2-4-22(32)10-16(9-21)14-31-7-5-19(6-8-31)29-23(34)30-20-12-17(24(26,27)28)11-18(25)13-20/h9,11-13,19,21-22H,2-8,10,14H2,1H3,(H2,29,30,34)
PubChem CID44446450
ChEMBLCHEMBL404736
IUPHARN/A
BindingDB50227863
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
215866C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367
215867C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368

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