Compound Detail
CHEMBL3134039
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Basic Information
| ChEMBL ID | CHEMBL3134039 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MJKKWXMGHSSABB-LCYFTJDESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
254.3
MW (Da)
1.99
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 4.02 | 4.02 | 95000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 95000.0 | nM | 4.02 | Induction of ROS generation assessed as generation of H2O2 measured as oxidation... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C3MD00149K | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine