Compound Detail
CHEMBL301609
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Basic Information
| ChEMBL ID | CHEMBL301609 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHSHWHNTZZRHFL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
3.62
ALogP
7
HBA
0
HBD
71.8
PSA (Ų)
0.33
QED
0
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 120.0 | nM | 6.92 | Inhibition of Thromboxane B2 formation in collagen-stimulated human platelets in... | 3656356 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3656356 | 10.1021/jm00393a022 | Cavia porcellus | 3 |
| 3656356 | 10.1021/jm00393a022 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine