Compound Detail
CHEMBL3984906
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Basic Information
| ChEMBL ID | CHEMBL3984906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJMFYIFEQJXPIP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.74
ALogP
4
HBA
1
HBD
51.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.81 | 6.81 | 156.1 | 1 |
| Astrocyte CHEMBL614871 | IC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 156.1 | nM | 6.81 | Cytoprotective activity in Sprague-Dawley rat primary astrocytes assessed as inh... | 28089588 |
| Astrocyte | IC50 | = | 340.0 | nM | 6.47 | Inhibition of H2O2-induced mitochondrial metabolic dysfunction in Sprague-Dawley... | 28089588 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28089588 | 10.1016/j.bmc.2016.12.052 | Astrocyte | 6 |
| 28089588 | 10.1016/j.bmc.2016.12.052 | NON-PROTEIN TARGET | 6 |
| 28089588 | 10.1016/j.bmc.2016.12.052 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine