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Compound Detail

CHEMBL4539454

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O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2ccccc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4539454
Phase Preclinical
Structure Type MOL
InChI Key FECLMXXIAKYNPH-QGOAFFKASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.84
ALogP
4
HBA
1
HBD
54.6
PSA (Ų)
0.69
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 C20H14N2O2S
MW 346.41
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.44

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