Compound Detail
CHEMBL419224
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O=C(O)CC/C=C\C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)C[C@H]1c1ccccc1O
Basic Information
| ChEMBL ID | CHEMBL419224 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KODODMNPRKPEJH-JFCQXLCGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
450.0
MW (Da)
4.26
ALogP
4
HBA
2
HBD
94.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Kd | 7.9 | 7.9 | 12.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 12.59 | nM | 7.9 | Antagonistic activity against TP-receptor by inhibition of U 46619-induced contr... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00021-2 | Thromboxane A2 receptor | 1 |
| - | 10.1016/0960-894X(96)00021-2 | Cavia porcellus | 1 |
| - | 10.1016/0960-894X(96)00021-2 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine