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Compound Detail

CHEMBL5630638

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Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C(C#N)=C/c2cccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630638
Phase Preclinical
Structure Type MOL
InChI Key QCDJLNXDAHMJRH-CPNJWEJPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

432.5
MW (Da)
4.04
ALogP
5
HBA
2
HBD
112.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N4O3S
MW 432.51
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.69

Literature References

PubMed DOI Target Context # Activities
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 3 subunit alpha 2
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 5 subunit alpha 2
37329714 10.1016/j.ejmech.2023.115530 Unchecked 1

Data from ChEMBL 36 via Core Engine