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Compound Detail

CHEMBL1870250

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Basic Information

ChEMBL ID CHEMBL1870250
Phase Preclinical
Structure Type MOL
InChI Key YWZHEXZIISFIDA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

150.2
MW (Da)
1.52
ALogP
5
HBA
1
HBD
38.9
PSA (Ų)
0.45
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C2H2N2S3
MW 150.25
Aromatic Rings 1
Heavy Atoms 7
NP-Likeness -0.89

Activity Summary

EC50 1 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mitochondrial peptide methionine sulfoxide reductase
CHEMBL2007622
EC50 4.99 4.99 10330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4296182 Escherichia coli 1
- 10.6019/CHEMBL4296182 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4296182 Candida albicans 1
- 10.6019/CHEMBL4296182 Cryptococcus neoformans 1
- 10.6019/CHEMBL4296182 Staphylococcus aureus 1
- 10.6019/CHEMBL4296182 Acinetobacter baumannii 1
- 10.6019/CHEMBL4296182 Klebsiella pneumoniae 1

Data from ChEMBL 36 via Core Engine