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Compound Detail

CHEMBL568666

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CCSc1nn(CCO)c(=N)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568666
Phase Preclinical
Structure Type MOL
InChI Key UROQTBYNZUFABI-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

205.3
MW (Da)
0.53
ALogP
6
HBA
2
HBD
61.9
PSA (Ų)
0.70
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 C6H11N3OS2
MW 205.31
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.90

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
19502068 10.1016/j.bmc.2009.05.039 Radical scavenging activity 1

Data from ChEMBL 36 via Core Engine