Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3109725

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Oc1ccc(-c2csc3ccccc23)c(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3109725
Phase Preclinical
Structure Type MOL
InChI Key NRPJYIQZRBZZTI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
3.98
ALogP
3
HBA
2
HBD
40.5
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H10O2S
MW 242.30
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -0.22

Literature References

PubMed DOI Target Context # Activities
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid 5-lipoxygenase 4
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid lipoxygenase ALOX15 1
23871907 10.1016/j.ejmech.2013.06.039 Polyunsaturated fatty acid lipoxygenase ALOX12 1

Data from ChEMBL 36 via Core Engine