Compound Detail
CHEMBL4161060
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Basic Information
| ChEMBL ID | CHEMBL4161060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCGGKWXRURDYEP-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
378.8
MW (Da)
3.99
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.82
EC50 1 meas. best 6.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Vascular endothelial growth factor A, long form CHEMBL1783 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | EC50 | 6.47 | 6.47 | 340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Vascular endothelial growth factor A, long form | IC50 | = | 15.0 | nM | 7.82 | Scintillation Proximity Assay (SPA): The total assay volume was about 100 μL in ... | - |
| Endothelial PAS domain-containing protein 1 | IC50 | = | 20.0 | nM | 7.7 | Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 ... | 30289716 |
| Endothelial PAS domain-containing protein 1 | EC50 | = | 340.0 | nM | 6.47 | Antagonist activity at HIF-2alpha in human 786-O cells co-expressing HIF respons... | 30289716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30289716 | 10.1021/acs.jmedchem.8b01196 | Endothelial PAS domain-containing protein 1 | 2 |
Data from ChEMBL 36 via Core Engine