Compound Detail
CHEMBL440321
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N#Cc1ccc([C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3ccccc3O)O2)cc1
Basic Information
| ChEMBL ID | CHEMBL440321 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XDLZFBKHPVNBAA-IXBIJAQISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
4.48
ALogP
5
HBA
2
HBD
99.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Kd | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 5.012 | nM | 8.3 | Thromboxane (TXA2) receptor antagonist activity using human platelet | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00004-2 | Thromboxane-A synthase | 3 |
| - | 10.1016/0960-894X(96)00004-2 | Canis familiaris | 2 |
| - | 10.1016/0960-894X(96)00004-2 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine