Compound Detail
CHEMBL5420728
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Basic Information
| ChEMBL ID | CHEMBL5420728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDQZGFIXHMUCKK-LBPRGKRZSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.18
ALogP
4
HBA
1
HBD
54.4
PSA (Ų)
0.91
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.36
Kd 1 meas. best 6.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aryl hydrocarbon receptor nuclear translocator/Endothelial PAS domain-containing protein 1 CHEMBL3885518 | IC50 | 6.36 | 6.36 | 440.0 | 1 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | Kd | 6.08 | 6.08 | 830.0 | 1 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aryl hydrocarbon receptor nuclear translocator/Endothelial PAS domain-containing protein 1 | IC50 | = | 440.0 | nM | 6.36 | Inhibition of human recombinant N-terminal His6Gb1-TEV-GEFKGL-tagged HIF-2alpha ... | 37403966 |
| Endothelial PAS domain-containing protein 1 | Kd | = | 830.0 | nM | 6.08 | Binding affinity to human recombinant HIF-2alpha (240 to 350 residues) assessed ... | 37403966 |
| Endothelial PAS domain-containing protein 1 | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of HIF-2alpha transcriptional activity in human 786-0 cells transfect... | 37403966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37403966 | 10.1021/acs.jmedchem.3c00332 | Endothelial PAS domain-containing protein 1 | 3 |
| 37403966 | 10.1021/acs.jmedchem.3c00332 | Aryl hydrocarbon receptor nuclear translocator/Endothelial PAS domain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine