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Compound Detail

CHEMBL8846

PRIFELONE
🧪 Phase II
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🧪 Phase II
CC(C)(C)c1cc(C(=O)c2cccs2)cc(C(C)(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8846
Name PRIFELONE
Phase Phase II
Structure Type MOL
InChI Key WAAVMZLJRXYRMA-UHFFFAOYSA-N

Known Names

Prifelona Prifelone R-830 R-830T S-16820
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
5
Known Names

Molecular Properties

316.5
MW (Da)
5.28
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.77
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Year 1988

Extended Properties

Molecular Formula C19H24O2S
MW 316.47
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.62

Activity Summary

IC50 4 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cyclooxygenase
CHEMBL2094253
 IC50 8.24 7.27 5.7 2
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
 IC50 5.32 5.01 4800.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cyclooxygenase IC50 = 5.7 nM 8.24 Inhibition of human platelet Prostaglandin G/H synthase 2113949
Cyclooxygenase IC50 = 500.0 nM 6.3 Inhibitory concentration against prostaglandin G/H synthase 16220969
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 4800.0 nM 5.32 Inhibition of human neutrophil 5-lipoxygenase 2113949
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 20000.0 nM 4.7 Inhibitory concentration against arachidonate 5-lipoxygenase 16220969

Literature References

PubMed DOI Target Context # Activities
2491889 10.1021/jm00121a021 Polyunsaturated fatty acid 5-lipoxygenase 2
2491889 10.1021/jm00121a021 Cyclooxygenase 2
2491889 10.1021/jm00121a021 Rattus norvegicus 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
2113949 10.1021/jm00169a010 Polyunsaturated fatty acid 5-lipoxygenase 1
2113949 10.1021/jm00169a010 Cyclooxygenase 1
9719605 10.1021/jm9802416 Rattus norvegicus 1
16220969 10.1021/jm058225d Cyclooxygenase 1
16220969 10.1021/jm058225d Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine