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Ligand

NameCHEMBL3561833
Molecular formulaC22H25FN2O3S
IUPAC name(E)-3-(4-fluorophenyl)-1-[4-(4-propylphenyl)sulfonylpiperazin-1-yl]prop-2-en-1-one
Molecular weight416.511
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.9
SynonymsMLS-0472451.0001
SCHEMBL16598427
SCHEMBL16598429
Inchi KeyAFSUXCCZDXSNBH-MDWZMJQESA-N
Inchi IDInChI=1S/C22H25FN2O3S/c1-2-3-18-6-11-21(12-7-18)29(27,28)25-16-14-24(15-17-25)22(26)13-8-19-4-9-20(23)10-5-19/h4-13H,2-3,14-17H2,1H3/b13-8+
PubChem CID71295875
ChEMBLCHEMBL3561833
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
463429G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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