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Compound Detail

CHEMBL275536

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COC[C@H]1OC(=O)c2c(C)oc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O

Basic Information

ChEMBL ID CHEMBL275536
Phase Preclinical
Structure Type MOL
InChI Key ABRBALHEWWBJFJ-STKUUJIWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
2.84
ALogP
8
HBA
0
HBD
109.1
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26O8
MW 442.46
Aromatic Rings 1
Heavy Atoms 32
NP-Likeness 2.18

Literature References

PubMed DOI Target Context # Activities
8676346 10.1021/jm950619p Unchecked 1
- 10.1016/0960-894X(95)00291-Z Rattus norvegicus 1
- 10.1016/0960-894X(95)00291-Z Unchecked 1
36283182 10.1016/j.ejmech.2022.114846 Phosphatidylinositol 3-kinase catalytic subunit type 3 1

Data from ChEMBL 36 via Core Engine