Compound Detail
CHEMBL3926448
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Basic Information
| ChEMBL ID | CHEMBL3926448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEWODHXDKSMMOM-ZZXKWVIFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
435.1
MW (Da)
5.60
ALogP
2
HBA
1
HBD
42.1
PSA (Ų)
0.43
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase CHEMBL2189162 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase | IC50 | = | 8.0 | nM | 8.1 | Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphyloco... | 27643559 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27643559 | 10.1016/j.ejmech.2016.09.018 | Staphylococcus aureus | 1 |
| 27643559 | 10.1016/j.ejmech.2016.09.018 | Pyruvate kinase | 1 |
Data from ChEMBL 36 via Core Engine