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Compound Detail

CHEMBL1910881

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O=C(O)c1sccc1SCc1ccc2ccccc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1910881
Phase Preclinical
Structure Type MOL
InChI Key KGAVOXKNHSTTFM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

300.4
MW (Da)
4.89
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.70
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 C16H12O2S2
MW 300.40
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.36

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