Compound Detail
CHEMBL3134032
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Basic Information
| ChEMBL ID | CHEMBL3134032 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITOLSGUGCZYBGR-ZROIWOOFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
287.8
MW (Da)
3.25
ALogP
2
HBA
1
HBD
46.2
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | EC50 | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | EC50 | = | 500.0 | nM | 6.3 | 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