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Ligand

NameCHEMBL3559986
Molecular formulaC22H25BrN2O
IUPAC name(E)-3-(4-bromophenyl)-1-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]prop-2-en-1-one
Molecular weight413.359
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.5
SynonymsSCHEMBL16598774
MLS-0472531.0001
SCHEMBL16598771
Inchi KeyCPMZDOKDONUIPE-VMPITWQZSA-N
Inchi IDInChI=1S/C22H25BrN2O/c1-17-13-18(2)15-20(14-17)16-24-9-11-25(12-10-24)22(26)8-5-19-3-6-21(23)7-4-19/h3-8,13-15H,9-12,16H2,1-2H3/b8-5+
PubChem CID73330417
ChEMBLCHEMBL3559986
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
468768G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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