Compound Detail
CHEMBL4793600
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Basic Information
| ChEMBL ID | CHEMBL4793600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQHALPOQOOPKOK-VQHVLOKHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
314.2
MW (Da)
3.83
ALogP
3
HBA
0
HBD
47.0
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.58
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 7.58 | 7.58 | 26.0 | 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 | = | 26.0 | nM | 7.58 | Activation of Nrf2 (unknown origin) expressed in human U2OS cells co-expressing ... | 33387904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33387904 | 10.1016/j.ejmech.2020.113103 | Nuclear factor erythroid 2-related factor 2 | 20 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | BV-2 | 9 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | Mus musculus | 5 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | ADMET | 3 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | Cytochrome P450 2C19 | 1 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | Cytochrome P450 2D6 | 1 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | Cytochrome P450 2C9 | 1 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | Cytochrome P450 1A2 | 1 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | Cytochrome P450 3A4 | 1 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 33387904 | 10.1016/j.ejmech.2020.113103 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine