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Compound Detail

CHEMBL316894

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O=S(=O)([O-])c1ccc2c(S(=O)(=O)[O-])cc(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL316894
Phase Preclinical
Structure Type MOL
InChI Key NJPKYOIXTSGVAN-UHFFFAOYSA-K
Parent Compound CHEMBL1160117
Active Moiety CHEMBL1160117
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
0.58
ALogP
6
HBA
3
HBD
163.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H5Na3O9S3
MW 434.31
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.48

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
11520195 10.1021/jm010020r Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine