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Compound Detail

CHEMBL229238

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O=Cc1cc(C(=O)O)c(O)c(C2CCCO2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL229238
Phase Preclinical
Structure Type MOL
InChI Key RZYDTNQZRNBBFZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

236.2
MW (Da)
1.75
ALogP
4
HBA
2
HBD
83.8
PSA (Ų)
0.78
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 C12H12O5
MW 236.22
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 0.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17692525 10.1016/j.bmc.2007.07.010 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine