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Compound Detail

CHEMBL5284991

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COC[C@H]1OC(=O)/C(=C\N)C2=C(O)C(=O)C3=C([C@H](OC(C)=O)C[C@]4(C)C(=O)CC[C@@H]34)[C@]21C

Basic Information

ChEMBL ID CHEMBL5284991
Phase Preclinical
Structure Type MOL
InChI Key XHMOHVXNYNSALF-WWLZMWGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

445.5
MW (Da)
1.42
ALogP
9
HBA
2
HBD
142.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H27NO8
MW 445.47
Aromatic Rings 0
Heavy Atoms 32
NP-Likeness 2.37

Literature References

PubMed DOI Target Context # Activities
36283182 10.1016/j.ejmech.2022.114846 Phosphatidylinositol 3-kinase catalytic subunit type 3 1

Data from ChEMBL 36 via Core Engine