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Compound Detail

CHEMBL2071231

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COc1ccc(OC)c2c1C(=O)C=C(C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2071231
Phase Preclinical
Structure Type MOL
InChI Key LQTITSAGIIHACG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.2
MW (Da)
2.03
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.78
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 C13H12O4
MW 232.24
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness 1.35

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