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Compound Detail

CHEMBL224833

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O=C(O)c1ccc(/C=C/C(=O)c2ccccc2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL224833
Phase Preclinical
Structure Type MOL
InChI Key JOALTNNELYVHQD-JXMROGBWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

268.3
MW (Da)
2.99
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H12O4
MW 268.27
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness 0.25

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17064909 10.1016/j.bmc.2006.10.007 Unchecked 2
26491979 10.1016/j.ejmech.2015.10.017 Unchecked 1
26491979 10.1016/j.ejmech.2015.10.017 Histone deacetylase 1
32631548 10.1016/j.bmcl.2020.127350 Tyrosine-protein phosphatase non-receptor type 22 1

Data from ChEMBL 36 via Core Engine