Compound Detail
CHEMBL2251373
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 | CHEMBL2251373 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDXOAQWBNPGAFA-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
282.1
MW (Da)
-0.19
ALogP
4
HBA
5
HBD
140.0
PSA (Ų)
0.47
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamine synthetase CHEMBL2366486 | IC50 | 4.19 | 4.19 | 64000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamine synthetase | IC50 | = | 64000.0 | nM | 4.19 | Inhibition of Oryza sativa cv. Gigante vercellese (rice) glutamine synthetase as... | 15161194 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15161194 | 10.1021/jf049843q | Glutamine synthetase | 6 |
| 15161194 | 10.1021/jf049843q | Oryza sativa | 6 |
| 17474756 | 10.1021/jf0701032 | Pyrroline-5-carboxylate reductase | 2 |
Data from ChEMBL 36 via Core Engine