Compound Detail
CHEMBL1172301
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Basic Information
| ChEMBL ID | CHEMBL1172301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRNMBYVKRNMSMH-RQZCQDPDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
1.57
ALogP
6
HBA
2
HBD
93.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 17000.0 | nM | 4.77 | Antioxidant activity assessed as DPPH radical scavenging activity after | 20403645 |
| No relevant target | IC50 | = | 17000.0 | nM | 4.77 | Antioxidant activity assessed as DPPH radical scavenging activity by UV-Visible ... | 24924425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20403645 | 10.1016/j.ejmech.2010.03.031 | NON-PROTEIN TARGET | 5 |
| 24924425 | 10.1016/j.bmc.2014.05.034 | No relevant target | 3 |
| 24924425 | 10.1016/j.bmc.2014.05.034 | NON-PROTEIN TARGET | 2 |
| 20403645 | 10.1016/j.ejmech.2010.03.031 | Radical scavenging activity | 1 |
| 20403645 | 10.1016/j.ejmech.2010.03.031 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine