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Compound Detail

CHEMBL4593954

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Cc1ccc(Cl)cc1-c1ccc(/C=C2/S/C(=N\c3ccccc3)NC2=O)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4593954
Phase Preclinical
Structure Type MOL
InChI Key XQECHNASBFPNFX-XDHOZWIPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

394.9
MW (Da)
5.80
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15ClN2O2S
MW 394.88
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.71

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