Compound Detail
CHEMBL127028
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL127028 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOEMUCWNSZVSGY-JXMROGBWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.31
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.9 | 4.9 | 12700.0 | 1 |
| BV-2 CHEMBL614781 | IC50 | 4.85 | 4.85 | 14100.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 12700.0 | nM | 4.9 | Antioxidant activity assessed as DPPH free radical scavenging activity after 60 ... | 23726032 |
| BV-2 | IC50 | = | 14100.0 | nM | 4.85 | Antineuroinflammatory activity in mouse BV2 cells assessed as reduction of LPS-i... | 23726032 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 100000.0 | nM | 4.0 | Inhibitory activity against HIV-1 Integrase (HIV-1-IN) | 11831895 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23726032 | 10.1016/j.bmcl.2013.05.016 | BV-2 | 2 |
| 9767632 | 10.1021/jm9707232 | Human immunodeficiency virus type 1 integrase | 1 |
| 9767632 | 10.1021/jm9707232 | MT4 | 1 |
| 9767632 | 10.1021/jm9707232 | KB | 1 |
| 9767632 | 10.1021/jm9707232 | ADMET | 1 |
| 11831895 | 10.1021/jm010399h | Human immunodeficiency virus type 1 integrase | 1 |
| 23726032 | 10.1016/j.bmcl.2013.05.016 | PC-12 | 1 |
| 23726032 | 10.1016/j.bmcl.2013.05.016 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine