Compound Detail
CHEMBL58135
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Basic Information
| ChEMBL ID | CHEMBL58135 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HXJDWCWJDCOHDG-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
391.5
MW (Da)
0.18
ALogP
6
HBA
5
HBD
158.8
PSA (Ų)
0.25
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione S-transferase A1 CHEMBL3409 | Ki | 6.08 | 6.08 | 840.0 | 1 |
| Glutathione S-transferase Mu 1 CHEMBL2081 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| Glutathione S-transferase P CHEMBL3902 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
| Glutathione S-transferase Mu 2 CHEMBL4589 | Ki | 4.44 | 4.44 | 36000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione S-transferase A1 | Ki | = | 840.0 | nM | 6.08 | Inhibitory activity was measured on recombinant human Glutathione-S-transferase ... | 8289195 |
| Glutathione S-transferase Mu 1 | Ki | = | 2000.0 | nM | 5.7 | Inhibitory activity was measured on recombinant human Glutathione S-transferase ... | 8289195 |
| Glutathione S-transferase P | Ki | = | 10000.0 | nM | 5.0 | Inhibitory activity was measured on recombinant human Glutathione S-transferase ... | 8289195 |
| Glutathione S-transferase Mu 2 | Ki | = | 36000.0 | nM | 4.44 | Inhibitory activity was measured on recombinant human Glutathione S-transferase ... | 8289195 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 8289195 | 10.1021/jm00027a024 | Glutathione S-transferase A1 | 1 |
| 8289195 | 10.1021/jm00027a024 | Glutathione S-transferase Mu 1 | 1 |
| 8289195 | 10.1021/jm00027a024 | Glutathione S-transferase Mu 2 | 1 |
| 8289195 | 10.1021/jm00027a024 | Glutathione S-transferase P | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine