Compound Detail
CHEMBL5289954
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 | CHEMBL5289954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MKFPGSFXKMBKLP-CJNGLKHVSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
347.4
MW (Da)
3.67
ALogP
2
HBA
2
HBD
66.4
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Keap1/Nrf2 CHEMBL3038498 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.18 | 4.18 | 66000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Keap1/Nrf2 | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of Nrf2-Keap1 Kelch domain (unknown origin) protein-protein interacti... | 37197451 |
| Unchecked | IC50 | = | 66000.0 | nM | 4.18 | Upregulation of HO-1 expression in human HRMC cells incubated for 18 hrs by ELIS... | 37197451 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37197451 | 10.1021/acsmedchemlett.3c00067 | Keap1/Nrf2 | 1 |
| 37197451 | 10.1021/acsmedchemlett.3c00067 | ADMET | 1 |
| 37197451 | 10.1021/acsmedchemlett.3c00067 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine