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Compound Detail

CHEMBL4541734

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CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)N(CC)C1=S
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4541734
Phase Preclinical
Structure Type MOL
InChI Key OSJQXYSMNKJPCW-RVDMUPIBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
3.45
ALogP
4
HBA
1
HBD
74.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N2O4S
MW 370.43
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -0.81

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