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Compound Detail

CHEMBL269255

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CCOC(=O)c1cc2ccccn2c(=S)n1

Basic Information

ChEMBL ID CHEMBL269255
Phase Preclinical
Structure Type MOL
InChI Key JOXSUGMGIRLYAO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

234.3
MW (Da)
2.24
ALogP
5
HBA
0
HBD
43.6
PSA (Ų)
0.59
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 C11H10N2O2S
MW 234.28
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.66

Activity Summary

IC50 1 meas. best 5.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mus musculus
CHEMBL375
IC50 5.77 5.77 1700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mus musculus IC50 = 1700.0 nM 5.77 Inhibitory activity against LPS stimulated RAW 264.7 macrophages 11300882

Literature References

PubMed DOI Target Context # Activities
11300882 10.1021/jm000997g Mus musculus 5
11300882 10.1021/jm000997g Homo sapiens 1
11300882 10.1021/jm000997g Unchecked 1

Data from ChEMBL 36 via Core Engine