Compound Detail
CHEMBL4452805
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Basic Information
| ChEMBL ID | CHEMBL4452805 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FFAANKRCKMNWSX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
505.0
MW (Da)
4.32
ALogP
6
HBA
1
HBD
105.4
PSA (Ų)
0.49
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 5.26 | 5.26 | 5500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | IC50 | = | 2400.0 | nM | 5.62 | Displacement of 5'-TAMRA-labelled NRF2 peptide from human N-terminal His6-tagged... | 30973731 |
| Keap1/Nrf2 | IC50 | = | 5500.0 | nM | 5.26 | Nrf2-Keap1 FP Assay #1: 100 nL of 100× compound dose response curves (serial 3-f... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30973731 | 10.1021/acs.jmedchem.9b00279 | Kelch-like ECH-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine