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Ligand

NameCHEMBL3561756
Molecular formulaC21H22BrFN2O
IUPAC name(E)-3-(4-bromophenyl)-1-[4-[(4-fluoro-3-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
Molecular weight417.322
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP4.3
SynonymsSCHEMBL16598928
SCHEMBL16598931
MLS-0472536.0001
Inchi KeyAVQGKZROIATJSS-WEVVVXLNSA-N
Inchi IDInChI=1S/C21H22BrFN2O/c1-16-14-18(4-8-20(16)23)15-24-10-12-25(13-11-24)21(26)9-5-17-2-6-19(22)7-3-17/h2-9,14H,10-13,15H2,1H3/b9-5+
PubChem CID73330396
ChEMBLCHEMBL3561756
IUPHARN/A
BindingDBN/A
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
464782G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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