Compound Detail
CHEMBL3633431
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Basic Information
| ChEMBL ID | CHEMBL3633431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FQENXGGVLOXLKU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.4
MW (Da)
3.27
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinases regulatory subunit 1/S-phase kinase-associated protein 2 CHEMBL3885558 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Lactoylglutathione lyase CHEMBL2424 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinases regulatory subunit 1/S-phase kinase-associated protein 2 | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of Cks1-Skp2 (unknown origin) interaction after 30 mins by ELISA | 26463131 |
| Lactoylglutathione lyase | IC50 | = | 11500.0 | nM | 4.94 | Inhibition recombinant human N-terminal 6His-tagged GLO1 (2 to 184 residues) exp... | 30628789 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26463131 | 10.1016/j.bmcl.2015.09.067 | Cyclin-dependent kinases regulatory subunit 1/S-phase kinase-associated protein 2 | 3 |
| 30628789 | 10.1021/acs.jmedchem.8b01868 | Lactoylglutathione lyase | 1 |
Data from ChEMBL 36 via Core Engine