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Compound Detail

CHEMBL459015

CLUSIANONE
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CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)[C@](CC=C(C)C)(C(=O)C(C(=O)c3ccccc3)=C2O)C1(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL459015
Name CLUSIANONE
Phase Preclinical
Structure Type MOL
InChI Key JXKKYQPCNJMAHZ-BJEYHHSBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

502.7
MW (Da)
7.92
ALogP
4
HBA
1
HBD
71.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H42O4
MW 502.70
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness 2.16

Literature References

PubMed DOI Target Context # Activities
12608850 10.1021/np020372g Unchecked 4
12608850 10.1021/np020372g Raji 4
12608850 10.1021/np020372g Radical scavenging activity 1
32791400 10.1016/j.ejmech.2020.112646 Staphylococcus aureus 1

Data from ChEMBL 36 via Core Engine