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Compound Detail

CHEMBL5629870

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CC1CCCCN1C(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5629870
Phase Preclinical
Structure Type MOL
InChI Key PRBPNKRGLVNJCO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

414.5
MW (Da)
2.67
ALogP
4
HBA
3
HBD
115.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N4O4S
MW 414.49
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.80

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