Compound Detail
CHEMBL3335424
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Nc1ncccc1C(=O)N1CCN(Cc2ccc(C(=O)Nc3ccc(C#Cc4ccccc4)cc3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL3335424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YPMOWWPVPPPBET-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.27
ALogP
5
HBA
2
HBD
91.6
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 7.68 | 7.68 | 21.0 | 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 | = | 21.0 | nM | 7.68 | 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 | Mus musculus | 5 |
| 25139751 | 10.1016/j.bmc.2014.07.020 | U-251 | 1 |
| 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