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Compound Detail

CHEMBL1669732

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COc1ccc(C=C(C(C)=O)C(C)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1669732
Phase Preclinical
Structure Type MOL
InChI Key ANEDNAUPNRTQKL-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
2.26
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.44
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 C13H14O3
MW 218.25
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.15

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
21237663 10.1016/j.bmc.2010.12.039 Lactoylglutathione lyase 1

Data from ChEMBL 36 via Core Engine