Compound Detail
CHEMBL5289853
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Basic Information
| ChEMBL ID | CHEMBL5289853 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMQSEOCYTDGKGA-OBGWFSINSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
349.2
MW (Da)
2.75
ALogP
4
HBA
3
HBD
81.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutathione S-transferase A1 CHEMBL3409 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutathione S-transferase A1 | IC50 | = | 180.0 | nM | 6.75 | Inhibition of recombinant human GSTA1-1 | 30542530 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30542530 | 10.1039/C8MD00300A | Glutathione S-transferase A1 | 1 |
Data from ChEMBL 36 via Core Engine