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Compound Detail

CHEMBL275365

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Cn1c(-c2ccc([S+](C)[O-])cc2)nc(-c2ccc(F)cc2)c1-c1ccncc1

Basic Information

ChEMBL ID CHEMBL275365
Phase Preclinical
Structure Type MOL
InChI Key LFPRICXNGTVKHB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
4.69
ALogP
4
HBA
0
HBD
53.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H18FN3OS
MW 391.47
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.94

Activity Summary

IC50 1 meas. best 6.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL215
IC50 6.19 6.19 650.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(95)00189-Z Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine