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Compound Detail

CHEMBL1980149

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COc1ccc2c(C)cc(=O)oc2c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1980149
Phase Preclinical
Structure Type MOL
InChI Key KVRKWGMQOATVAE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

220.2
MW (Da)
2.12
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C12H12O4
MW 220.22
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness 0.40

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
22925447 10.1016/j.bmc.2012.07.043 U-937 10
22925447 10.1016/j.bmc.2012.07.043 PBMC 1
22925447 10.1016/j.bmc.2012.07.043 Jurkat 1
22925447 10.1016/j.bmc.2012.07.043 No relevant target 1

Data from ChEMBL 36 via Core Engine