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Compound Detail

CHEMBL294445

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O=C(O)C(=O)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL294445
Phase Preclinical
Structure Type MOL
InChI Key GIWRVUADKUVEGU-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

156.2
MW (Da)
1.02
ALogP
3
HBA
1
HBD
54.4
PSA (Ų)
0.51
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 C6H4O3S
MW 156.16
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.19

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11459664 10.1016/s0960-894x(01)00325-0 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine