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Compound Detail

CHEMBL278362

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CSC1(c2ccccc2)C(=O)c2ccccc2C1=O

Basic Information

ChEMBL ID CHEMBL278362
Phase Preclinical
Structure Type MOL
InChI Key NSBWXYHBSQPROW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
3.32
ALogP
3
HBA
0
HBD
34.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O2S
MW 268.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness 0.20

Activity Summary

IC50 1 meas. best 4.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Polyunsaturated fatty acid 5-lipoxygenase
CHEMBL312
IC50 4.82 4.82 15000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Polyunsaturated fatty acid 5-lipoxygenase IC50 = 15000.0 nM 4.82 In vitro inhibition of 5-lipoxygenase activity in RBL-1 cells. -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(00)80236-X Polyunsaturated fatty acid 5-lipoxygenase 1

Data from ChEMBL 36 via Core Engine