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Compound Detail

CHEMBL565952

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CCSc1nnc(NCCS)s1

Basic Information

ChEMBL ID CHEMBL565952
Phase Preclinical
Structure Type MOL
InChI Key CFHWXBAFEASESU-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

221.4
MW (Da)
1.99
ALogP
6
HBA
2
HBD
37.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C6H11N3S3
MW 221.38
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -3.15

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
19502068 10.1016/j.bmc.2009.05.039 Mus musculus 3
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