Compound Detail
CHEMBL72450
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 | CHEMBL72450 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BLEBLJKJAJDPSQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
346.8
MW (Da)
2.80
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL4028 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 4.0 | nM | 8.4 | Tested for inhibition of thromboxane synthetase from spontaneously hypertensive ... | 3681898 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3681898 | 10.1021/jm00395a016 | Thromboxane-A synthase | 2 |
Data from ChEMBL 36 via Core Engine