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Compound Detail

CHEMBL1945997

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COc1cc(OC)c(/C=C/C(=O)c2ccc3ccccc3c2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1945997
Phase Preclinical
Structure Type MOL
InChI Key LEBHONLPHWKIPT-ZHACJKMWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
4.76
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20O4
MW 348.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.04

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