Compound Detail
CHEMBL4468759
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Basic Information
| ChEMBL ID | CHEMBL4468759 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZLCPKCSIEBYWEY-ZHACJKMWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
324.8
MW (Da)
3.73
ALogP
4
HBA
0
HBD
52.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 6.62 | 6.62 | 237.0 | 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 | = | 237.0 | nM | 6.62 | Activation of ED-tagged Nrf2 in human U2OS cells co-expressing Keap1 assessed as... | 31312409 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31312409 | 10.1021/acsmedchemlett.9b00163 | Nuclear factor erythroid 2-related factor 2 | 1 |
Data from ChEMBL 36 via Core Engine