Compound Detail
CHEMBL3623803
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COc1ccc(C(=O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(O[C@H](C)C(=O)c5ccc(OC)c(O)c5)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1O
Basic Information
| ChEMBL ID | CHEMBL3623803 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XPSGXAAGJCXZBA-NUGJUYCBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
700.8
MW (Da)
7.52
ALogP
11
HBA
2
HBD
139.2
PSA (Ų)
0.13
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.68 | 5.68 | 2110.0 | 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 | = | 2110.0 | nM | 5.68 | 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