Compound Detail
CHEMBL2178417
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COCCOC(=O)c1cccc(NC(=O)/C=C/Oc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1
Basic Information
| ChEMBL ID | CHEMBL2178417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEOHLRFFKIXRTP-MDZDMXLPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
475.6
MW (Da)
5.49
ALogP
5
HBA
1
HBD
73.9
PSA (Ų)
0.22
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha CHEMBL4261 | IC50 | 5.74 | 5.74 | 1840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia-inducible factor 1-alpha | IC50 | = | 1840.0 | nM | 5.74 | Inhibition of HIF1alpha in human HCT116 cells under hypoxic condition after 16 h... | 23153200 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23153200 | 10.1021/jm301419d | HCT-116 | 1 |
| 23153200 | 10.1021/jm301419d | Hypoxia-inducible factor 1-alpha | 1 |
Data from ChEMBL 36 via Core Engine