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Compound Detail

CHEMBL568735

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CCC(=O)Nc1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL568735
Phase Preclinical
Structure Type MOL
InChI Key RYWYJGXIHQNKFE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

206.3
MW (Da)
2.64
ALogP
3
HBA
1
HBD
42.0
PSA (Ų)
0.82
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 C10H10N2OS
MW 206.27
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -2.81

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