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Compound Detail

CHEMBL4463806

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

Basic Information

ChEMBL ID CHEMBL4463806
Phase Preclinical
Structure Type MOL
InChI Key HLZHUIRXJQVTDE-NTUHNPAUSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

345.3
MW (Da)
3.00
ALogP
7
HBA
2
HBD
118.5
PSA (Ų)
0.50
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 C15H11N3O5S
MW 345.34
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.46

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