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Compound Detail

CHEMBL2071230

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COc1cccc2c1C(=O)C(O)=C(C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2071230
Phase Preclinical
Structure Type MOL
InChI Key OMXXTPLHUKBYKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

218.2
MW (Da)
1.91
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.78
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 1
Heavy Atoms 16
NP-Likeness 1.27

Literature References

PubMed DOI Target Context # Activities
22858297 10.1016/j.bmc.2012.06.055 Leishmania major 1
22858297 10.1016/j.bmc.2012.06.055 RAW264.7 1

Data from ChEMBL 36 via Core Engine