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Compound Detail

CHEMBL4850679

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C/C=C(\C)C(=O)O[C@@H]1/C=C\C2=C3CC(=O)O[C@@H](c4ccoc4)[C@]3(C)CC[C@]2(O)[C@]2(C)C(=O)C[C@@]1(C)[C@@H]2CC(=O)OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4850679
Phase Preclinical
Structure Type MOL
InChI Key JEDMFGBGDIWKGO-RHPRPUERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

566.6
MW (Da)
4.71
ALogP
9
HBA
1
HBD
129.3
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H38O9
MW 566.65
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 2.95

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