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Ligand

NameCHEMBL3560820
Molecular formulaC21H23FN2O3S
IUPAC name(E)-3-(4-fluorophenyl)-1-[4-(2-phenylethylsulfonyl)piperazin-1-yl]prop-2-en-1-one
Molecular weight402.484
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP2.9
SynonymsMLS-0472506.0001
SCHEMBL16598808
SCHEMBL16598811
Inchi KeyQXRSOWPNQDNQCR-DHZHZOJOSA-N
Inchi IDInChI=1S/C21H23FN2O3S/c22-20-9-6-19(7-10-20)8-11-21(25)23-13-15-24(16-14-23)28(26,27)17-12-18-4-2-1-3-5-18/h1-11H,12-17H2/b11-8+
PubChem CID71295884
ChEMBLCHEMBL3560820
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
498728G-protein coupled receptor 183P32249GPR183Homo sapiens (Human)361

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