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Compound Detail

CHEMBL5624709

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CC(NS(=O)(=O)c1ccc(C2=CC(c3ccc(Cl)cc3)n3nnnc3N2)cc1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5624709
Phase Preclinical
Structure Type MOL
InChI Key OYTJNWCCLBKYRN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

460.9
MW (Da)
2.13
ALogP
8
HBA
3
HBD
139.1
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17ClN6O4S
MW 460.90
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.60

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