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Compound Detail

CHEMBL571958

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CCOc1ccc2c(c1)sc(=N)n2CCO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL571958
Phase Preclinical
Structure Type MOL
InChI Key KKKGJWDXBLBXTM-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

238.3
MW (Da)
1.57
ALogP
5
HBA
2
HBD
58.2
PSA (Ų)
0.85
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 C11H14N2O2S
MW 238.31
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.51

Activity Summary

IC50 1 meas.

Literature References

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

Data from ChEMBL 36 via Core Engine