Compound Detail
CHEMBL4446699
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Basic Information
| ChEMBL ID | CHEMBL4446699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMJALMCHLCZRNN-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
3.63
ALogP
6
HBA
0
HBD
75.9
PSA (Ų)
0.84
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | EC50 | = | 2.0 | nM | 8.7 | Inhibition of KEAP1 interaction with Nrf2 in human HEK293 cells transfected with... | 31531189 |
| Unchecked | EC50 | = | 2.0 | nM | 8.7 | HEK293 luciferase: Purpose of the AssayThe purpose of this assay is to identify ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31531189 | 10.1021/acsmedchemlett.9b00328 | Kelch-like ECH-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine