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Ligand

NameCHEMBL403267
Molecular formulaC23H28F4N4O2
IUPAC name1-[1-[(8-acetyl-8-azabicyclo[3.2.1]oct-2-en-3-yl)methyl]piperidin-4-yl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
Molecular weight468.497
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP2.6
SynonymsBDBM50227869
1-[1-(8-acetyl-8-aza-bicyclo[3.2.1]oct-2-en-3-ylmethyl)-piperidin-4-yl]-3-(3-fluoro-5-trifluoromethyl-phenyl)-urea
Inchi KeyPJXKTIHQTMUAES-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H28F4N4O2/c1-14(32)31-20-2-3-21(31)9-15(8-20)13-30-6-4-18(5-7-30)28-22(33)29-19-11-16(23(25,26)27)10-17(24)12-19/h8,10-12,18,20-21H,2-7,9,13H2,1H3,(H2,28,29,33)
PubChem CID44446439
ChEMBLCHEMBL403267
IUPHARN/A
BindingDB50227869
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
261617C-X-C chemokine receptor type 3P49682CXCR3Homo sapiens (Human)368
261618C-X-C chemokine receptor type 3O88410Cxcr3Mus musculus (Mouse)367

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