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Compound Detail

CHEMBL190833

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COc1ccccc1N1CC(=O)NS1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL190833
Phase Preclinical
Structure Type MOL
InChI Key OZTFMESDUYNAEZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
-0.12
ALogP
4
HBA
1
HBD
75.7
PSA (Ų)
0.78
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 C9H10N2O4S
MW 242.26
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.78

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
15863305 10.1016/j.bmcl.2005.03.068 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine