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Compound Detail

CHEMBL4872355

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CC(=O)O[C@H]1C[C@@]2(C)[C@H](C3=CC(=O)O[C@@H]3O)OC(=O)[C@H]3O[C@]32[C@@]2(C)[C@H]1[C@@]1(C)C=CC(=O)OC(C)(C)[C@@H]1C[C@H]2OC(C)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4872355
Phase Preclinical
Structure Type MOL
InChI Key PSGXFVCXDZBUDL-MANYVJTESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

588.6
MW (Da)
1.66
ALogP
12
HBA
1
HBD
164.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H36O12
MW 588.61
Aromatic Rings 0
Heavy Atoms 42
NP-Likeness 3.42

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