Compound Detail
CHEMBL2408029
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Basic Information
| ChEMBL ID | CHEMBL2408029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAKPRMHGWRUNOL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
325.4
MW (Da)
2.91
ALogP
6
HBA
2
HBD
78.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.46 | 6.46 | 345.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 345.0 | nM | 6.46 | Cytoprotective activity against BSO-induced cell death in human Friedreich's ata... | 24900738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900738 | 10.1021/ml400130z | Unchecked | 11 |
| 24900738 | 10.1021/ml400130z | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine