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Compound Detail

CHEMBL576438

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CCSc1nnc(NC(=O)CC)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL576438
Phase Preclinical
Structure Type MOL
InChI Key ZGNBQKFUOXUBDR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

217.3
MW (Da)
2.00
ALogP
5
HBA
1
HBD
54.9
PSA (Ų)
0.62
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 C7H11N3OS2
MW 217.32
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -3.52

Literature References

PubMed DOI Target Context # Activities
19502068 10.1016/j.bmc.2009.05.039 Radical scavenging activity 2

Data from ChEMBL 36 via Core Engine