Compound Detail
CHEMBL5286162
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Basic Information
| ChEMBL ID | CHEMBL5286162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPRQKOMHAQHTFJ-IRWQIABSSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
3.34
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.41
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione hydrolase 1 proenzyme CHEMBL5696 | IC50 | 7.41 | 7.41 | 39.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.1 | 6.1 | 789.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione hydrolase 1 proenzyme | IC50 | = | 39.0 | nM | 7.41 | Inhibition of human GGT1 | 29908442 |
| Unchecked | Ki | = | 789.0 | nM | 6.1 | Displacement of 3[H]BTX from rat cerebral cortex sodium channel assessed as inhi... | 29908442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Unchecked | 1 |
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Glutathione hydrolase 1 proenzyme | 1 |
| 29908442 | 10.1016/j.ejmech.2018.06.017 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine