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Compound Detail

CHEMBL5630779

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C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)NS(C)(=O)=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5630779
Phase Preclinical
Structure Type MOL
InChI Key INQMRODMIGBEGZ-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

396.9
MW (Da)
2.44
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.78
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN2O5S
MW 396.85
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.55

Literature References

PubMed DOI Target Context # Activities
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 5 subunit alpha 3
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 3 subunit alpha 2
37329714 10.1016/j.ejmech.2023.115530 Unchecked 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 1 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 2 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 4 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 8 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 9 subunit alpha 1
37329714 10.1016/j.ejmech.2023.115530 Sodium channel protein type 10 subunit alpha 1

Data from ChEMBL 36 via Core Engine