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Compound Detail

CHEMBL1946440

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Cc1ccc(/C=C/C(=O)c2ccc3c(c2)OCO3)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1946440
Phase Preclinical
Structure Type MOL
InChI Key RRRAGIIYQZDMNL-AATRIKPKSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
3.21
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.62
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 C15H12O4
MW 256.26
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.48

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