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Compound Detail

CHEMBL490333

VISMIAQUINONE B
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COc1cc2c(c(O)c1CC(=O)C(C)C)C(=O)c1c(O)cc(C)cc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL490333
Name VISMIAQUINONE B
Phase Preclinical
Structure Type MOL
InChI Key POZKRJDVQGSFPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
2.96
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H20O6
MW 368.39
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 1.34

Literature References

PubMed DOI Target Context # Activities
16499321 10.1021/np050407n Unchecked 2

Data from ChEMBL 36 via Core Engine