Compound Detail
CHEMBL430393
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Basic Information
| ChEMBL ID | CHEMBL430393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEWWNCGLLYVLPS-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.5
MW (Da)
4.27
ALogP
4
HBA
2
HBD
88.5
PSA (Ų)
0.75
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 6.1 | 5.9333 | 800.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 800.0 | nM | 6.1 | Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human AGS c... | 17884495 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human Hep3B... | 17884495 |
| Hypoxia-inducible factor 1-alpha | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of hypoxia induced HIF1-alpha transcriptional activity in human Sk-He... | 17884495 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884495 | 10.1016/j.bmcl.2007.09.005 | Hypoxia-inducible factor 1-alpha | 3 |
Data from ChEMBL 36 via Core Engine