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Compound Detail

CHEMBL565780

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CCOc1ccc2c(c1)sc(=N)n2CCSS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL565780
Phase Preclinical
Structure Type MOL
InChI Key PPTRIINIKAPFFE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
2.12
ALogP
7
HBA
2
HBD
92.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N2O4S3
MW 334.44
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.39

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