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Compound Detail

CHEMBL579039

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Cc1ccc2c(c1)sc(=N)n2CCSS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL579039
Phase Preclinical
Structure Type MOL
InChI Key USJSKUZJSBHHGL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
2.03
ALogP
6
HBA
2
HBD
83.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H12N2O3S3
MW 304.42
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.35

Literature References

PubMed DOI Target Context # Activities
19502068 10.1016/j.bmc.2009.05.039 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine