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Compound Detail

CHEMBL4863699

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COC(=O)C[C@H]1C(C)(C)[C@H](OC(=O)C(O)C(C)C)[C@@H]2C=C3C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]1(C)C2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4863699
Phase Preclinical
Structure Type MOL
InChI Key ONWIOFATBGXKRJ-RKYILQISSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

570.7
MW (Da)
4.58
ALogP
9
HBA
1
HBD
129.3
PSA (Ų)
0.30
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H42O9
MW 570.68
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 2.62

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