Compound Detail
CHEMBL3623812
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COc1cc([C@H]2O[C@H](c3ccc(O[C@H](C)[C@H](O)c4ccccc4)c(OC)c3)[C@H](C)[C@H]2C)ccc1O[C@H](C)[C@H](O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3623812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJYORZAIOLJNDE-ZHKRCAKWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
612.8
MW (Da)
7.79
ALogP
7
HBA
2
HBD
86.6
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 590.0 | nM | 6.23 | Inhibition of HIF1 in human HEK293T cells transfected with pGL3-5HRE-VEGF and pR... | 26394152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26394152 | 10.1021/acs.jmedchem.5b01220 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 2 |
| 26394152 | 10.1021/acs.jmedchem.5b01220 | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine