Compound Detail
CHEMBL3212643
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 | CHEMBL3212643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFNDGAPTSYRUMC-GIJQJNRQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.3
MW (Da)
1.95
ALogP
5
HBA
1
HBD
84.6
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| No relevant target CHEMBL2362975 | IC50 | 4.37 | 4.37 | 42400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5300.0 | nM | 5.28 | Inhibition of rat bone marrow myeloperoxidase using H2O2 as substrate after 20 m... | 32278712 |
| No relevant target | IC50 | = | 42400.0 | nM | 4.37 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins | 32278712 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32278712 | 10.1016/j.bmc.2020.115470 | No relevant target | 9 |
| 32278712 | 10.1016/j.bmc.2020.115470 | Unchecked | 2 |
| 32278712 | 10.1016/j.bmc.2020.115470 | Acetylcholinesterase | 2 |
Data from ChEMBL 36 via Core Engine