Compound Detail
CHEMBL298462
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CC(C)c1ccc2c(CCCCS(=O)(=O)Nc3ccc(Cl)cc3)cc(S(=O)(=O)[O-])c-2cc1.[Na+]
Basic Information
| ChEMBL ID | CHEMBL298462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ATMFASIDIWPIIP-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1206702 |
| Active Moiety | CHEMBL1206702 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.1
MW (Da)
5.58
ALogP
4
HBA
2
HBD
100.5
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL3156 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | IC50 | = | 220.0 | nM | 6.66 | 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 |
| - | 10.1016/S0960-894X(00)80043-8 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine