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Compound Detail

CHEMBL416892

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COC[C@H]1OC(=O)C23CC2COC2=C3[C@@]1(C)C1=C(C2=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O

Basic Information

ChEMBL ID CHEMBL416892
Phase Preclinical
Structure Type MOL
InChI Key GOWDILCPTGYXEP-SXURNDOBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

456.5
MW (Da)
2.06
ALogP
8
HBA
0
HBD
105.2
PSA (Ų)
0.59
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 C25H28O8
MW 456.49
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.58

Literature References

PubMed DOI Target Context # Activities
8676346 10.1021/jm950619p Unchecked 1
- 10.1016/0960-894X(95)00191-U Unchecked 1
36283182 10.1016/j.ejmech.2022.114846 Phosphatidylinositol 3-kinase catalytic subunit type 3 1

Data from ChEMBL 36 via Core Engine