Compound Detail
CHEMBL5415198
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Basic Information
| ChEMBL ID | CHEMBL5415198 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLJGXHHISFLNKZ-NSCUHMNNSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
170.1
MW (Da)
-1.39
ALogP
6
HBA
1
HBD
89.9
PSA (Ų)
0.44
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.21
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| THP-1 CHEMBL614245 | IC50 | 4.75 | 4.75 | 18000.0 | 1 |
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 4.21 | 4.21 | 60900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| THP-1 | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of LPS-induced IL-23 production in IFN-gamma primed human THP-1 cells... | 38116420 |
| Nuclear factor erythroid 2-related factor 2 | EC50 | = | 60900.0 | nM | 4.21 | Activation of Nrf2 in human PathHunter U2OS Keap1-Nrf2 cells assessed as Nrf2 nu... | 38116420 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38116420 | 10.1021/acsmedchemlett.3c00336 | Nuclear factor erythroid 2-related factor 2 | 1 |
| 38116420 | 10.1021/acsmedchemlett.3c00336 | THP-1 | 1 |
| 38116420 | 10.1021/acsmedchemlett.3c00336 | Hydroxycarboxylic acid receptor 2 | 1 |
| 38116420 | 10.1021/acsmedchemlett.3c00336 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 38116420 | 10.1021/acsmedchemlett.3c00336 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine