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Compound Detail

CHEMBL4797164

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COc1ccc(/C=N/Nc2nc(-c3ccc(S(C)(=O)=O)cc3)cs2)c(OC)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4797164
Phase Preclinical
Structure Type MOL
InChI Key WGISCMITNSQCOC-RGVLZGJSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

417.5
MW (Da)
3.68
ALogP
8
HBA
1
HBD
89.9
PSA (Ų)
0.47
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19N3O4S2
MW 417.51
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.80

Literature References

PubMed DOI Target Context # Activities
33071054 10.1016/j.ejmech.2020.112918 Prostaglandin G/H synthase 1 3
33071054 10.1016/j.ejmech.2020.112918 Prostaglandin G/H synthase 2 3
33071054 10.1016/j.ejmech.2020.112918 COX-1/COX-2 1

Data from ChEMBL 36 via Core Engine