Compound Detail
CHEMBL215717
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Basic Information
| ChEMBL ID | CHEMBL215717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOKXXIMRVFUOIB-RMKNXTFCSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
244.7
MW (Da)
4.52
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.82
EC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK-293T CHEMBL3706568 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Transcription factor p65 CHEMBL5533 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Nuclear factor erythroid 2-related factor 2 CHEMBL1075094 | EC50 | 5.51 | 5.51 | 3100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK-293T | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of TNF-alpha-induced NF-kappaB activation in HEK293T cells | 17125270 |
| Transcription factor p65 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition Assay: The actual target(s) whereby the most active substituted trans... | - |
| Nuclear factor erythroid 2-related factor 2 | EC50 | = | 3100.0 | nM | 5.51 | Activation of Nrf2 (unknown origin) expressed in human HepG2 cells after 5 hrs b... | 28126440 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17125270 | 10.1021/jm060630x | HEK-293T | 2 |
| 17125270 | 10.1021/jm060630x | Radical scavenging activity | 2 |
| 28126440 | 10.1016/j.bmc.2017.01.005 | Nuclear factor erythroid 2-related factor 2 | 2 |
Data from ChEMBL 36 via Core Engine