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Compound Detail

CHEMBL251908

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COc1c(O)cc2c(c1O)C(=O)c1ccc(O)cc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL251908
Phase Preclinical
Structure Type MOL
InChI Key XUHCTZUMZGBPRV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

286.2
MW (Da)
1.59
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.63
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 C15H10O6
MW 286.24
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 1.67

Literature References

PubMed DOI Target Context # Activities
18076142 10.1021/np070501z ADMET 1
18076142 10.1021/np070501z Unchecked 1
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