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Compound Detail

CHEMBL457942

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COc1cc(-c2coc3cc(O)ccc3c2=O)cc(OC)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL457942
Phase Preclinical
Structure Type MOL
InChI Key KAAIDCFNSXASKK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

314.3
MW (Da)
2.89
ALogP
6
HBA
2
HBD
89.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H14O6
MW 314.29
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.90

Literature References

PubMed DOI Target Context # Activities
9322358 10.1021/np970236p Quinone oxidoreductase 1
9322358 10.1021/np970236p NON-PROTEIN TARGET 1
9322358 10.1021/np970236p Unchecked 1
29482940 10.1016/j.bmcl.2018.02.026 BV-2 1

Data from ChEMBL 36 via Core Engine