Compound Detail
CHEMBL250474
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Basic Information
| ChEMBL ID | CHEMBL250474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DACRWRGHESRUQW-CYBMUJFWSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.24
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.415 | 11.0 | 2 |
| Transcription factor Jun CHEMBL4977 | IC50 | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Inhibition of NF-kappaB-mediated gene transcription in HepG2 cells by luciferase... | 17531481 |
| Transcription factor Jun | IC50 | = | 68.0 | nM | 7.17 | Inhibition of AP1-mediated gene transcription in HepG2 cells by luciferase repor... | 17531481 |
| Unchecked | IC50 | = | 135.0 | nM | 6.87 | Inhibition of CRE-mediated gene transcription in HepG2 cells by luciferase repor... | 17531481 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17531481 | 10.1016/j.bmcl.2007.05.021 | HepG2 | 3 |
| 17531481 | 10.1016/j.bmcl.2007.05.021 | Unchecked | 2 |
| 17531481 | 10.1016/j.bmcl.2007.05.021 | PANC-1 | 1 |
| 17531481 | 10.1016/j.bmcl.2007.05.021 | Transcription factor Jun | 1 |
Data from ChEMBL 36 via Core Engine