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Compound Detail

CHEMBL5266610

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CN/C=C1\C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5266610
Phase Preclinical
Structure Type MOL
InChI Key QKBRUBQFRCROCI-OKZSIVOTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

459.5
MW (Da)
1.68
ALogP
9
HBA
2
HBD
128.2
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29NO8
MW 459.50
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 2.23

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