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Compound Detail

CHEMBL505686

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C=C(C)[C@@H](CC=C(C)C)C[C@@]12C[C@@H](CC=C(C)C)C(C)(C)[C@@](CC=C(C)C)(C(=O)C(C(=O)c3ccc(O)c(OC)c3)=C1O)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL505686
Phase Preclinical
Structure Type MOL
InChI Key IRGODUUTQDWGCW-OXWAJMPISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

616.8
MW (Da)
9.22
ALogP
6
HBA
2
HBD
100.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C39H52O6
MW 616.84
Aromatic Rings 1
Heavy Atoms 45
NP-Likeness 2.42

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

Data from ChEMBL 36 via Core Engine