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Compound Detail

CHEMBL4465279

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N=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4465279
Phase Preclinical
Structure Type MOL
InChI Key VPMVXYSKVKFHCB-WUXMJOGZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

349.8
MW (Da)
3.65
ALogP
6
HBA
2
HBD
109.2
PSA (Ų)
0.50
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 C14H8ClN3O4S
MW 349.76
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.85

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