Compound Detail
CHEMBL4743688
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Basic Information
| ChEMBL ID | CHEMBL4743688 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DKWMPJYYBUMGRC-UHFFFAOYSA-M |
| Parent Compound | CHEMBL4802456 |
| Active Moiety | CHEMBL4802456 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.6
MW (Da)
5.40
ALogP
3
HBA
0
HBD
19.1
PSA (Ų)
0.29
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.41 | 7.41 | 39.0 | 1 |
| Lymphocyte CHEMBL5314318 | EC50 | 7.12 | 7.12 | 76.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 39.0 | nM | 7.41 | Inhibition of erastin-induced cell death in FRDA patient-derived fibroblast asse... | 33214825 |
| Lymphocyte | EC50 | = | 76.0 | nM | 7.12 | Anti-ferroptotic activity in FRDA patient-derived Lymphocyte assessed as reducti... | 33214825 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33214825 | 10.1021/acsmedchemlett.0c00293 | Unchecked | 3 |
| 33214825 | 10.1021/acsmedchemlett.0c00293 | Lymphocyte | 2 |
Data from ChEMBL 36 via Core Engine