Compound Detail
CHEMBL4172027
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Basic Information
| ChEMBL ID | CHEMBL4172027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DEHILFOXGDHTTI-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
379.6
MW (Da)
4.44
ALogP
3
HBA
0
HBD
43.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | IC50 | 5.4 | 5.38 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Endothelial PAS domain-containing protein 1 | IC50 | = | 4000.0 | nM | 5.4 | Scintillation Proximity Assay (SPA): HIF-2a: The total assay volume was about 10... | - |
| Endothelial PAS domain-containing protein 1 | IC50 | = | 4400.0 | nM | 5.36 | Binding affinity to His-tagged HIF-2alpha PAS-B domain (unknown origin) after 2 ... | 30289716 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30289716 | 10.1021/acs.jmedchem.8b01196 | Endothelial PAS domain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine