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Ligand

NameCHEMBL290276
Molecular formulaC26H32FN3O2
IUPAC name1-(3-acetylphenyl)-3-[3-[4-[(4-fluorophenyl)methyl]-2-azabicyclo[2.2.2]octan-2-yl]propyl]urea
Molecular weight437.559
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.2
SynonymsBDBM50142449
1-(3-Acetyl-phenyl)-3-{3-[4-(4-fluoro-benzyl)-2-aza-bicyclo[2.2.2]oct-2-yl]-propyl}-urea
Inchi KeyBOIFMURGRAHYDS-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H32FN3O2/c1-19(31)21-4-2-5-23(16-21)29-25(32)28-14-3-15-30-18-26(12-10-24(30)11-13-26)17-20-6-8-22(27)9-7-20/h2,4-9,16,24H,3,10-15,17-18H2,1H3,(H2,28,29,32)
PubChem CID44289959
ChEMBLCHEMBL290276
IUPHARN/A
BindingDB50142449
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: 1
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GLASS IDNameUniProtGeneSpeciesLength
28823C-C chemokine receptor type 3P51677CCR3Homo sapiens (Human)355

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