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Compound Detail

CHEMBL576437

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CCC(=O)Nc1nc2ccc(C)cc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL576437
Phase Preclinical
Structure Type MOL
InChI Key FYVZICCAKDFHHX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

220.3
MW (Da)
2.95
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N2OS
MW 220.30
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -2.89

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