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Compound Detail

CHEMBL3393147

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O=C(O)c1ccc[n+]2c([O-])c(-c3ccccc3)sc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3393147
Phase Preclinical
Structure Type MOL
InChI Key KKZPXWXKLDGZAF-UHFFFAOYSA-N
0
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
1.93
ALogP
3
HBA
1
HBD
64.5
PSA (Ų)
0.72
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 C14H9NO3S
MW 271.30
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.46

Activity Summary

IC50 3 meas.

Literature References

PubMed DOI Target Context # Activities
25159123 10.1016/j.ejmech.2014.08.060 Unchecked 3
25159123 10.1016/j.ejmech.2014.08.060 HEK293 3
25159123 10.1016/j.ejmech.2014.08.060 Protein tyrosine phosphatase type IVA 3 1
25159123 10.1016/j.ejmech.2014.08.060 Protein tyrosine phosphatase type IVA 2 1
25159123 10.1016/j.ejmech.2014.08.060 Protein tyrosine phosphatase type IVA 1 1
25159123 10.1016/j.ejmech.2014.08.060 No relevant target 1

Data from ChEMBL 36 via Core Engine