Compound Detail
CHEMBL3335481
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3335481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RSHNCVXKIMUWTH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
346.5
MW (Da)
5.28
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.82
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 6.05 | 6.05 | 891.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | IC50 | = | 891.0 | nM | 6.05 | Antagonist activity against human thromboxane A2 receptor alpha expressed in QBI... | 25221659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25221659 | 10.1021/ml5002085 | Thromboxane A2 receptor | 2 |
Data from ChEMBL 36 via Core Engine