Compound Detail
CHEMBL4172072
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Basic Information
| ChEMBL ID | CHEMBL4172072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZCYUOWKJNUVBF-KAMYIIQDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
3.47
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 5.14 | 5.14 | 7200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor erythroid 2-related factor 2 | EC50 | = | 7200.0 | nM | 5.14 | Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs b... | 29223100 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 29223100 | 10.1016/j.ejmech.2017.11.048 | Luciferin 4-monooxygenase | 1 |
Data from ChEMBL 36 via Core Engine