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Compound Detail

CHEMBL510534

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C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@]34C=CC(=O)O[C@H]3O4)CC[C@]12O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL510534
Phase Preclinical
Structure Type MOL
InChI Key OCYAAZOSHMXOCZ-CIUXFEFNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

402.5
MW (Da)
3.33
ALogP
5
HBA
2
HBD
79.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H34O5
MW 402.53
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 3.46

Literature References

PubMed DOI Target Context # Activities
15620253 10.1021/np049950e MH60 2

Data from ChEMBL 36 via Core Engine