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Compound Detail

CHEMBL457382

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COc1ccc(O)c2c1C(=O)c1ccc(CO)c(O)c1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457382
Phase Preclinical
Structure Type MOL
InChI Key KCRYZHDWIWWELK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

300.3
MW (Da)
1.37
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.66
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 C16H12O6
MW 300.27
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness 1.49

Literature References

PubMed DOI Target Context # Activities
16378361 10.1021/np050383k Quinone oxidoreductase 1
16378361 10.1021/np050383k ADMET 1
16378361 10.1021/np050383k Unchecked 1

Data from ChEMBL 36 via Core Engine