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Ligand

NameCHEMBL3561255
Molecular formulaC21H23BrN2O
IUPAC name(E)-3-(4-bromophenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
Molecular weight399.332
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.2
SynonymsSCHEMBL16598794
MLS-0472529.0001
SCHEMBL16598791
Inchi KeySIPOQHFVWFXQKF-DHZHZOJOSA-N
Inchi IDInChI=1S/C21H23BrN2O/c1-17-2-4-19(5-3-17)16-23-12-14-24(15-13-23)21(25)11-8-18-6-9-20(22)10-7-18/h2-11H,12-16H2,1H3/b11-8+
PubChem CID73330403
ChEMBLCHEMBL3561255
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
501854G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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