Compound Detail
CHEMBL47510
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CC(C)c1ccc2c(CCCS(=O)(=O)Nc3ccccc3)cc(S(=O)(=O)[O-])c-2cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL47510 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBRJWIXTXKWSJX-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1205050 |
| Active Moiety | CHEMBL1205050 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
447.6
MW (Da)
4.54
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL3156 | IC50 | 5.06 | 5.06 | 8700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | IC50 | = | 8700.0 | nM | 5.06 | Tested for antagonistic activity on isolated rat thoracic aorta (thromboxane A2 ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80043-8 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine