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Compound Detail

CHEMBL4875445

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CC(=O)O[C@H]1C[C@@]2(C)[C@H](c3ccoc3)OC(=O)[C@H]3O[C@]32[C@@]2(C)[C@H]1[C@@]1(C)[C@@H](OC(C)=O)CC(=O)OC(C)(C)[C@@H]1C[C@H]2OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4875445
Phase Preclinical
Structure Type MOL
InChI Key LLKSEVKQBGUFFZ-DMULSHIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

616.7
MW (Da)
3.59
ALogP
12
HBA
0
HBD
157.2
PSA (Ų)
0.28
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C32H40O12
MW 616.66
Aromatic Rings 1
Heavy Atoms 44
NP-Likeness 2.80

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