Compound Detail
CHEMBL33731
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 | CHEMBL33731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXCWWPDCHRNOQR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
2.05
ALogP
4
HBA
1
HBD
64.3
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 27.0 | nM | 7.57 | Inhibitory activity against thromboxane A2 synthetase | 3930740 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3930740 | 10.1021/jm00148a009 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine