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Compound Detail

CHEMBL568560

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CCc1nn(CCO)c(=N)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568560
Phase Preclinical
Structure Type MOL
InChI Key UITGBPNYEDXYNK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

173.2
MW (Da)
-0.02
ALogP
5
HBA
2
HBD
61.9
PSA (Ų)
0.67
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 C6H11N3OS
MW 173.24
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness -1.46

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