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Compound Detail

CHEMBL1946985

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O=C(/C=C/c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1946985
Phase Preclinical
Structure Type MOL
InChI Key GNIQFIOQLFKKCU-GORDUTHDSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

321.2
MW (Da)
4.62
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.61
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 C16H10Cl2O3
MW 321.16
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -0.65

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22136336 10.1021/jm2012062 Low molecular weight protein-tyrosine phosphatase A 2
22136336 10.1021/jm2012062 Phosphotyrosine-protein phosphatase PTPB 2
22136336 10.1021/jm2012062 No relevant target 1

Data from ChEMBL 36 via Core Engine