Compound Detail
CHEMBL4159561
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4159561 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOTCJAZBVIBCPM-FGTMMUONSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
2.15
ALogP
4
HBA
1
HBD
95.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 CHEMBL2069156 | IC50 | 5.92 | 5.81 | 1200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kelch-like ECH-associated protein 1 | IC50 | = | 1200.0 | nM | 5.92 | Inhibition of fluorescent labelled Nrf2 peptide ligand binding to human Keap1 (3... | 30108745 |
| Kelch-like ECH-associated protein 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of KEAP1 interaction with Nrf2 (unknown origin) by SRP assay | 32142281 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30108745 | 10.1039/C6MD00500D | Kelch-like ECH-associated protein 1 | 1 |
| 32142281 | 10.1021/acs.jmedchem.9b01451 | Kelch-like ECH-associated protein 1 | 1 |
Data from ChEMBL 36 via Core Engine