Compound Detail
CHEMBL4850911
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Basic Information
| ChEMBL ID | CHEMBL4850911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZJEDZVLINXUEOU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.26
ALogP
6
HBA
2
HBD
110.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | Ki | 4.91 | 4.91 | 12300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | Ki | = | 12300.0 | nM | 4.91 | Inhibition of interaction between human KEAP1 Kelch domain/FAM-Nrf2 using Cy5-Nr... | 33818106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33818106 | 10.1021/acs.jmedchem.0c02094 | Keap1/Nrf2 | 1 |
Data from ChEMBL 36 via Core Engine