Compound Detail
CHEMBL231451
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Basic Information
| ChEMBL ID | CHEMBL231451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCIOLKBITYPZAW-UKTHLTGXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
289.4
MW (Da)
3.36
ALogP
4
HBA
1
HBD
55.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.36 | 4.36 | 43300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 43300.0 | nM | 4.36 | Inhibition of DPPH radical scavenging activity | 17197183 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17197183 | 10.1016/j.bmcl.2006.12.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine