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Compound Detail

CHEMBL2397763

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COc1cc2c(=O)c3ccccc3oc2cc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2397763
Phase Preclinical
Structure Type MOL
InChI Key VVZBRQKEVJGCCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

242.2
MW (Da)
2.66
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.67
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 C14H10O4
MW 242.23
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness 0.69

Literature References

PubMed DOI Target Context # Activities
26900954 10.1021/acs.jnatprod.5b00858 Staphylococcus aureus 6
34008971 10.1021/acs.jnatprod.1c00150 PANC-1 2
23743282 10.1016/j.bmcl.2013.04.032 ADMET 1
23743282 10.1016/j.bmcl.2013.04.032 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine