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Compound Detail

CHEMBL301643

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COc1ccc(C(=O)C(=O)O)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301643
Phase Preclinical
Structure Type MOL
InChI Key BMGOAOMKRNIFAM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

210.2
MW (Da)
0.97
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H10O5
MW 210.19
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness 0.09

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
11459664 10.1016/s0960-894x(01)00325-0 Tyrosine-protein phosphatase non-receptor type 1 1

Data from ChEMBL 36 via Core Engine