Compound Detail
CHEMBL3335427
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COCc1ccc(CN2CCN(Cc3ccc(C(=O)Nc4ccc(C#CC56CC7CC(CC(C7)C5)C6)cc4)cc3)[C@@H](C)C2)cn1
Basic Information
| ChEMBL ID | CHEMBL3335427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGKHIIOJTRYMFF-LIZUPSOTSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.8
MW (Da)
6.75
ALogP
5
HBA
1
HBD
57.7
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 8.96 | 8.96 | 1.1 | 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 | = | 1.1 | nM | 8.96 | 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