Compound Detail
CHEMBL4168978
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Basic Information
| ChEMBL ID | CHEMBL4168978 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPOHUQUKAIBKHQ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
399.2
MW (Da)
4.34
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.96
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| Vascular endothelial growth factor A, long form CHEMBL1783 | EC50 | 6.9 | 6.9 | 125.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 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 | = | 110.0 | nM | 6.96 | Antagonist activity at HIF-2alpha in human 786-O cells co-expressing HIF respons... | 30289716 |
| Vascular endothelial growth factor A, long form | EC50 | = | 125.0 | nM | 6.9 | ELISA Assay: About 7500 of 786-O cells in 180 μL of growth medium were seeded in... | - |
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