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Compound Detail

CHEMBL3218570

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CN1CCOc2cc(/C=C3\SC(=O)NC3=O)ccc21

Basic Information

ChEMBL ID CHEMBL3218570
Phase Preclinical
Structure Type MOL
InChI Key MWSKRXUXYVQQPP-XFFZJAGNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.84
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O3S
MW 276.32
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -1.41

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C2MD20044A Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform 1

Data from ChEMBL 36 via Core Engine