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Ligand

NameCHEMBL3561739
Molecular formulaC21H19BrF4N2O
IUPAC name(E)-3-(4-bromophenyl)-1-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-2-en-1-one
Molecular weight471.294
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP4.8
SynonymsSCHEMBL16599072
SCHEMBL16599076
MLS-0472538.0001
Inchi KeyMFQRMKLWPGAHIZ-FPYGCLRLSA-N
Inchi IDInChI=1S/C21H19BrF4N2O/c22-17-5-1-15(2-6-17)3-8-20(29)28-11-9-27(10-12-28)14-16-4-7-18(23)13-19(16)21(24,25)26/h1-8,13H,9-12,14H2/b8-3+
PubChem CID73330399
ChEMBLCHEMBL3561739
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
488224G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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