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Compound Detail

CHEMBL4443667

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COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\C(C)=O)NC2=O)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4443667
Phase Preclinical
Structure Type MOL
InChI Key OHFFEBHFRDAWHG-OVCLIPMQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
2.97
ALogP
7
HBA
1
HBD
124.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H13N3O6S
MW 387.37
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
30925338 10.1016/j.ejmech.2019.03.039 Glycogen synthase kinase-3 alpha 2
30925338 10.1016/j.ejmech.2019.03.039 Glycogen synthase kinase-3 beta 2

Data from ChEMBL 36 via Core Engine