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Compound Detail

CHEMBL567216

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Cc1ccc2nc(NCCS)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL567216
Phase Preclinical
Structure Type MOL
InChI Key CPVCBMSYQSSMOY-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

224.3
MW (Da)
2.95
ALogP
4
HBA
2
HBD
24.9
PSA (Ų)
0.78
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 C10H12N2S2
MW 224.35
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.51

Activity Summary

IC50 2 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine