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Compound Detail

CHEMBL568740

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N=c1sc2ccccc2n1CCSS(=O)(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568740
Phase Preclinical
Structure Type MOL
InChI Key KZBOUYLJMIIJOX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

290.4
MW (Da)
1.72
ALogP
6
HBA
2
HBD
83.2
PSA (Ų)
0.66
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 C9H10N2O3S3
MW 290.39
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.19

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