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Compound Detail

CHEMBL4584696

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O=C1NC(=S)N/C1=C/c1ccc(Sc2ccc(Cl)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4584696
Phase Preclinical
Structure Type MOL
InChI Key VSPNEKZHEPZTEA-YRNVUSSQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.8
MW (Da)
3.43
ALogP
4
HBA
2
HBD
54.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H9ClN2O2S2
MW 336.83
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.53

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