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Compound Detail

CHEMBL455104

VISMIAQUINONE
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COc1cc2c(c(O)c1/C=C/C(C)C)C(=O)c1c(O)cc(C)cc1C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL455104
Name VISMIAQUINONE
Phase Preclinical
Structure Type MOL
InChI Key FMUNWYQUOSZHBF-AATRIKPKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
3.86
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.75
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 C21H20O5
MW 352.39
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness 1.57

Literature References

PubMed DOI Target Context # Activities
16499321 10.1021/np050407n Unchecked 2
12828475 10.1021/np020566w MCF7 1
12828475 10.1021/np020566w NCI-H460 1
12828475 10.1021/np020566w SF-268 1

Data from ChEMBL 36 via Core Engine