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Compound Detail

CHEMBL1910880

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Cc1ccc(CSc2ccsc2C(=O)O)cc1C

Basic Information

ChEMBL ID CHEMBL1910880
Phase Preclinical
Structure Type MOL
InChI Key VYTKZEAKAXUQDL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
4.36
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.84
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 C14H14O2S2
MW 278.40
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.78

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
21882820 10.1021/jm2003766 Receptor-type tyrosine-protein phosphatase gamma 1
21882820 10.1021/jm2003766 Tyrosine-protein phosphatase non-receptor type 1 1
21882820 10.1021/jm2003766 Receptor-type tyrosine-protein phosphatase C 1

Data from ChEMBL 36 via Core Engine