Compound Detail
CHEMBL66194
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COc1ccc(C(=O)c2cc(CCNS(=O)(=O)c3ccc(Cl)cc3)cc(CCC(=O)O)c2)cc1
Basic Information
| ChEMBL ID | CHEMBL66194 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YZWXXRAPTRDWSY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
502.0
MW (Da)
4.12
ALogP
5
HBA
2
HBD
109.8
PSA (Ų)
0.38
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL3156 | Kd | 10.6 | 10.6 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 0.02512 | nM | 10.6 | In vitro Thromboxane A2 (TXA2) receptor antagonism was tested by its ability to ... | 9873486 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873486 | 10.1016/s0960-894x(98)00242-x | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine