Compound Detail
CHEMBL337255
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Basic Information
| ChEMBL ID | CHEMBL337255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSHQNCFPHPNNHA-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
306.3
MW (Da)
2.55
ALogP
6
HBA
0
HBD
65.8
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | IC50 | 4.37 | 4.37 | 42657.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | IC50 | = | 42657.95 | nM | 4.37 | Tested in vitro for bronchodilatory activity by spontaneous tone inhibition in g... | 8258827 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258827 | 10.1021/jm00077a008 | Thromboxane-A synthase | 1 |
| 8258827 | 10.1021/jm00077a008 | Cavia porcellus | 1 |
| 8258827 | 10.1021/jm00077a008 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine