Compound Detail
CHEMBL2064670
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Basic Information
| ChEMBL ID | CHEMBL2064670 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQKMAPANQMNEHB-NTEUORMPSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
2.85
ALogP
3
HBA
2
HBD
52.8
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.66 | 5.15 | 2180.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.18 | 4.18 | 66600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2180.0 | nM | 5.66 | Antioxidant activity assessed as singlet 1O2 oxygen quenching activity after 2 m... | 22832313 |
| Unchecked | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of F1F0-ATP synthase in Escherichia coli | 31493745 |
| NON-PROTEIN TARGET | IC50 | = | 23100.0 | nM | 4.64 | Antioxidant activity assessed as DPPH scavenging activity after 30 mins by micro... | 22832313 |
| Radical scavenging activity | IC50 | = | 66600.0 | nM | 4.18 | Antioxidant activity assessed as DPPH free radical scavenging activity after 30 ... | 24269515 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22832313 | 10.1016/j.bmcl.2012.06.026 | NON-PROTEIN TARGET | 2 |
| 31493745 | 10.1016/j.ejmech.2019.111644 | Unchecked | 2 |
| 24269515 | 10.1016/j.ejmech.2013.10.068 | Amyloid-beta precursor protein | 1 |
| 24269515 | 10.1016/j.ejmech.2013.10.068 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine