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Compound Detail

CHEMBL1910885

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O=C(O)c1sccc1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1910885
Phase Preclinical
Structure Type MOL
InChI Key JWLCYXTWTFDTLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

351.2
MW (Da)
3.73
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.91
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 C12H8Cl2O4S2
MW 351.23
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.89

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