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Ligand

NameCHEMBL3561798
Molecular formulaC17H23BrN2O
IUPAC name(E)-3-(4-bromophenyl)-1-(4-butan-2-ylpiperazin-1-yl)prop-2-en-1-one
Molecular weight351.288
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP3.6
SynonymsSCHEMBL16599493
MLS-0472672.0001
SCHEMBL16599491
Inchi KeyCPPQQBDODKHBIF-RMKNXTFCSA-N
Inchi IDInChI=1S/C17H23BrN2O/c1-3-14(2)19-10-12-20(13-11-19)17(21)9-6-15-4-7-16(18)8-5-15/h4-9,14H,3,10-13H2,1-2H3/b9-6+
PubChem CID73330410
ChEMBLCHEMBL3561798
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
468778G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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