Compound Detail
CHEMBL4129965
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Basic Information
| ChEMBL ID | CHEMBL4129965 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQCSJALMHHZARC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4301301 |
| Active Moiety | CHEMBL4301301 |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
508.8
MW (Da)
8.52
ALogP
3
HBA
0
HBD
19.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.54 | 7.4 | 29.0 | 2 |
| Lymphocyte CHEMBL5314318 | EC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 29.0 | nM | 7.54 | Cytoprotective activity against BSO-treated human Friedreich's ataxia fibroblast... | 29773347 |
| Unchecked | EC50 | = | 55.0 | nM | 7.26 | Inhibition of erastin-induced cell death in FRDA patient-derived fibroblast asse... | 33214825 |
| Lymphocyte | EC50 | = | 70.0 | nM | 7.16 | Anti-ferroptotic activity in FRDA patient-derived Lymphocyte assessed as reducti... | 33214825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29773347 | 10.1016/j.bmc.2018.05.005 | Unchecked | 27 |
| 30288223 | 10.1039/C8MD00274F | GM15850 | 10 |
| 30288223 | 10.1039/C8MD00274F | GM16216 | 10 |
| 33214825 | 10.1021/acsmedchemlett.0c00293 | Unchecked | 4 |
| 33214825 | 10.1021/acsmedchemlett.0c00293 | Lymphocyte | 2 |
Data from ChEMBL 36 via Core Engine