Compound Detail
CHEMBL5437483
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COc1cc(/C=C/C(=O)c2ccc3c(c2O)C=CC(C)(C)O3)ccc1OCCCN1CCC(C)CC1
Basic Information
| ChEMBL ID | CHEMBL5437483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SLQQVRMXDLRAGA-RMKNXTFCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
5.98
ALogP
6
HBA
1
HBD
68.2
PSA (Ų)
0.26
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha inhibitor CHEMBL5909 | IC50 | 5.42 | 5.42 | 3780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha inhibitor | IC50 | = | 3780.0 | nM | 5.42 | Inhibition of HIF-1 alpha transcriptional activity in human U-251 cells incubate... | 36774697 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36774697 | 10.1016/j.ejmech.2023.115171 | Hypoxia-inducible factor 1-alpha inhibitor | 1 |
Data from ChEMBL 36 via Core Engine