Compound Detail
CHEMBL2289235
SODIUM METHYL ACETYLPHOSPHONATE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL2289235 |
| Name | SODIUM METHYL ACETYLPHOSPHONATE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CQZYKOIQTWFNAS-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1230956 |
| Active Moiety | CHEMBL1230956 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
138.1
MW (Da)
0.36
ALogP
3
HBA
1
HBD
63.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate dehydrogenase complex CHEMBL2366571 | IC50 | 4.16 | 4.16 | 70000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate dehydrogenase complex | IC50 | = | 70000.0 | nM | 4.16 | Inhibition of Pisum sativum (pea) PDHc by spectrophotometric assay | 23398199 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23398199 | 10.1021/jf305153h | Pyruvate dehydrogenase complex | 1 |
Data from ChEMBL 36 via Core Engine