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Compound Detail

CHEMBL5280988

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COC(=O)CC(C)CO[C@H]1O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3

Basic Information

ChEMBL ID CHEMBL5280988
Phase Preclinical
Structure Type MOL
InChI Key IJMRPAZTQIBRIY-IVAOZMOESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

398.5
MW (Da)
3.41
ALogP
7
HBA
0
HBD
72.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H34O7
MW 398.50
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.90

Literature References

PubMed DOI Target Context # Activities
33508479 10.1016/j.ejmech.2021.113193 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine