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Compound Detail

CHEMBL4081324

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CS(=O)(=O)c1nc(-c2cccs2)cc(C2CCC(=O)N2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4081324
Phase Preclinical
Structure Type MOL
InChI Key FOSKCKIJBAMBFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
1.56
ALogP
6
HBA
1
HBD
89.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H13N3O3S2
MW 323.40
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
28435527 10.1021/acsmedchemlett.6b00489 Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial 1

Data from ChEMBL 36 via Core Engine