Compound Detail
CHEMBL115387
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Basic Information
| ChEMBL ID | CHEMBL115387 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLQPDNUPUFPWKN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
3.35
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 20.0 | nM | 7.7 | Activity against human platelet microsome Thromboxane synthase | 9341919 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9341919 | 10.1021/jm9702793 | Thromboxane A2 receptor | 1 |
| 9341919 | 10.1021/jm9702793 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine