Compound Detail
CHEMBL2311967
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Basic Information
| ChEMBL ID | CHEMBL2311967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXUKXNSGAXJPHR-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
358.7
MW (Da)
4.55
ALogP
6
HBA
1
HBD
94.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.05
Kd 2 meas. best 9.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 9.59 | 9.59 | 0.3 | 1 |
| Aryl hydrocarbon receptor nuclear translocator/Endothelial PAS domain-containing protein 1 CHEMBL3885518 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | Kd | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 0.26 | nM | 9.59 | Binding affinity to human wild type HIF2alpha assessed as dissociation constant ... | 33569941 |
| Aryl hydrocarbon receptor nuclear translocator/Endothelial PAS domain-containing protein 1 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of GST-tagged PAS-B domain of HIF-2alpha-Flag-tagged PAS-B domain of ... | 23363003 |
| Unchecked | IC50 | = | 90.0 | nM | 7.05 | Inhibition of HIF (unknown origin) | 33569941 |
| Endothelial PAS domain-containing protein 1 | Kd | = | 170.0 | nM | 6.77 | Binding affinity to wild type PAS-B domain of HIF-2alpha (unknown origin) by iso... | 23363003 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33569941 | 10.1021/acs.jmedchem.0c01901 | Unchecked | 2 |
| 23363003 | 10.1021/jm301847z | Endothelial PAS domain-containing protein 1 | 1 |
| 23363003 | 10.1021/jm301847z | Aryl hydrocarbon receptor nuclear translocator/Endothelial PAS domain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine