Compound Detail
CHEMBL1782072
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Basic Information
| ChEMBL ID | CHEMBL1782072 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PAJSJBLTHMYPMY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
4.73
ALogP
4
HBA
3
HBD
79.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.14 | 5.14 | 7210.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 7210.0 | nM | 5.14 | Inhibition of hypoxia-induced HIF1alpha transcriptional activity in HEK293 cells... | 19435661 |
| HeLa | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of hypoxia-induced VEGF secretion in human HeLa cells incubated for 1... | 19435661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19435661 | 10.1016/j.bmcl.2009.04.122 | Hypoxia-inducible factor 1-alpha | 4 |
| 19435661 | 10.1016/j.bmcl.2009.04.122 | HeLa | 4 |
| 22801642 | 10.1016/j.bmcl.2012.06.084 | Sentrin-specific protease 1 | 2 |
Data from ChEMBL 36 via Core Engine