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Compound Detail

CHEMBL4878280

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COC(=O)C[C@H](OC(C)=O)[C@]1(C)[C@H]2[C@@H](OC(C)=O)C[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@H]4O[C@]43[C@]2(C)[C@H](OC(C)=O)C[C@H]1C(C)(C)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4878280
Phase Preclinical
Structure Type MOL
InChI Key RSIYXEAXVGYFPE-WOEAOWLDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

648.7
MW (Da)
3.20
ALogP
13
HBA
1
HBD
177.4
PSA (Ų)
0.25
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H44O13
MW 648.70
Aromatic Rings 1
Heavy Atoms 46
NP-Likeness 2.71

Literature References

PubMed DOI Target Context # Activities
33661631 10.1021/acs.jnatprod.0c01217 Heat shock protein HSP 90-alpha 1

Data from ChEMBL 36 via Core Engine