Compound Detail
CHEMBL5437026
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Basic Information
| ChEMBL ID | CHEMBL5437026 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OBDBAEQKQSFFSR-XRGYYRRGSA-N |
2
Targets
4
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names
Molecular Properties
380.4
MW (Da)
2.95
ALogP
5
HBA
1
HBD
63.6
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.35
Kd 1 meas. best 4.39
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 | 5.35 | 5.35 | 4500.0 | 1 |
| Endothelial PAS domain-containing protein 1 CHEMBL1744522 | Kd | 4.39 | 4.39 | 41000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 110.0 | mL.min-1.kg-1 | Mus musculus |
| F | 163.0 | % | Mus musculus |
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 | = | 4500.0 | nM | 5.35 | Inhibition of human recombinant N-terminal His6Gb1-TEV-GEFKGL-tagged HIF-2alpha ... | 37403966 |
| Endothelial PAS domain-containing protein 1 | Kd | = | 41000.0 | nM | 4.39 | Binding affinity to human recombinant HIF-2alpha (240 to 350 residues) assessed ... | 37403966 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37403966 | 10.1021/acs.jmedchem.3c00332 | ADMET | 10 |
| 37403966 | 10.1021/acs.jmedchem.3c00332 | Endothelial PAS domain-containing protein 1 | 3 |
| 37403966 | 10.1021/acs.jmedchem.3c00332 | No relevant target | 2 |
| 37403966 | 10.1021/acs.jmedchem.3c00332 | J774.A1 | 2 |
| 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