Compound Detail
CHEMBL357723
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COC1CCC(CCCNC(=O)c2coc(-c3ccc(/C(=C\CCCCC(=O)O)c4cccnc4)cc3)n2)CC1
Basic Information
| ChEMBL ID | CHEMBL357723 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UASKRIFPIWYGAQ-HIUVJMHLSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
545.7
MW (Da)
6.53
ALogP
6
HBA
2
HBD
114.5
PSA (Ų)
0.22
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Kd 1 meas. best 6.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.54 | 7.54 | 28.7 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Kd | 6.92 | 6.92 | 121.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 28.7 | nM | 7.54 | In vitro for inhibitory activity against thromboxane synthase | 9876106 |
| Thromboxane A2 receptor | Kd | = | 121.7 | nM | 6.92 | In vitro for antagonistic activity against thromboxane synthase receptor | 9876106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9876106 | 10.1021/jm980173n | Thromboxane A2 receptor | 1 |
| 9876106 | 10.1021/jm980173n | Thromboxane-A synthase | 1 |
| 9876106 | 10.1021/jm980173n | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine