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Compound Detail

CHEMBL1784035

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CC(=O)c1c(O)ccc2c(C)cc(=O)oc12

Basic Information

ChEMBL ID CHEMBL1784035
Phase Preclinical
Structure Type MOL
InChI Key WZOMQVFUPMLOGT-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
2.01
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H10O4
MW 218.21
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.56

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22925447 10.1016/j.bmc.2012.07.043 U-937 5
21439691 10.1016/j.ejmech.2011.03.006 Micrococcus luteus 2
21439691 10.1016/j.ejmech.2011.03.006 Staphylococcus aureus 2
21439691 10.1016/j.ejmech.2011.03.006 Escherichia coli 2
21439691 10.1016/j.ejmech.2011.03.006 Bacillus subtilis 1
21439691 10.1016/j.ejmech.2011.03.006 Bacillus cereus 1

Data from ChEMBL 36 via Core Engine