Compound Detail
CHEMBL3335426
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C[C@H]1CN(Cc2cccnc2)CCN1Cc1ccc(C(=O)Nc2ccc(C#CC34CC5CC(CC(C5)C3)C4)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL3335426 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVPBLVZJMMMTJV-GDGVEGPCSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
558.8
MW (Da)
6.61
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.35
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 8.59 | 8.59 | 2.6 | 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 | = | 2.6 | nM | 8.59 | Inhibition of HIF1 signaling in human U251 cells expressing VEGF by VEGF promote... | 25139751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25139751 | 10.1016/j.bmc.2014.07.020 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 1 |
Data from ChEMBL 36 via Core Engine