Compound Detail
CHEMBL333438
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Basic Information
| ChEMBL ID | CHEMBL333438 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXDZNWCUNBBTAP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
391.3
MW (Da)
4.56
ALogP
3
HBA
3
HBD
52.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-2 adrenergic receptor CHEMBL210 | Ki | 5.36 | 5.36 | 4365.2 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Ki | 4.08 | 4.08 | 83176.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-2 adrenergic receptor | Ki | = | 4365.16 | nM | 5.36 | Binding affinity for human Beta-2 adrenergic receptor expressed in CHO cells by ... | 8809159 |
| Thromboxane A2 receptor | Ki | = | 83176.38 | nM | 4.08 | Binding affinity for human Platelet Thromboxane A2 / Prostaglandin (TP), by radi... | 8809159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8809159 | 10.1021/jm960208o | Beta-2 adrenergic receptor | 2 |
| 8809159 | 10.1021/jm960208o | Thromboxane A2 receptor | 2 |
Data from ChEMBL 36 via Core Engine