Compound Detail
CHEMBL124807
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 | CHEMBL124807 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMNBPJQPSDYDKY-GUSNPEKLSA-N |
2
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
-0.25
ALogP
10
HBA
4
HBD
139.5
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.3
Ki 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.3 | 6.26 | 500.0 | 2 |
| Glyceraldehyde-3-phosphate dehydrogenase CHEMBL2284 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 500.0 | nM | 6.3 | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate... | 7932587 |
| Unchecked | IC50 | = | 600.0 | nM | 6.22 | Tested for the inhibitory activity against Glycosomal glyceraldehyd 3-phosphate ... | 7932587 |
| Glyceraldehyde-3-phosphate dehydrogenase | IC50 | = | 1300.0 | nM | 5.89 | Tested for the inhibitory activity against Glycosomal glyceraldehyde 3-phosphate... | 7932587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932587 | 10.1021/jm00047a017 | Unchecked | 2 |
| 7562915 | 10.1021/jm00019a014 | Unchecked | 2 |
| 9934461 | 10.1016/s0960-894x(98)00635-0 | Unchecked | 1 |
| 7932587 | 10.1021/jm00047a017 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
| 7562915 | 10.1021/jm00019a014 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
Data from ChEMBL 36 via Core Engine