Compound Detail
CHEMBL3939774
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3939774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDDGIYLVBYGATA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
394.1
MW (Da)
4.95
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pyruvate kinase CHEMBL2189162 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pyruvate kinase | IC50 | = | 10.0 | nM | 8.0 | 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 | Pyruvate kinase | 1 |
| 27643559 | 10.1016/j.ejmech.2016.09.018 | Staphylococcus aureus | 1 |
Data from ChEMBL 36 via Core Engine