Compound Detail
CHEMBL162641
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
CC(C)(CNS(=O)(=O)c1ccc(I)cc1)c1cccc(/C(=C\CCCC(=O)O)c2cccnc2)c1
Basic Information
| ChEMBL ID | CHEMBL162641 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JILQVWNDRFJPRF-KIBLKLHPSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
604.5
MW (Da)
5.63
ALogP
4
HBA
2
HBD
96.4
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.2
IC50 1 meas. best 7.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL3156 | Kd | 9.2 | 9.2 | 0.6 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 7.5 | 7.5 | 31.6 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Kd | 6.7 | 6.7 | 199.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 0.631 | nM | 9.2 | In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induce... | - |
| Thromboxane-A synthase | IC50 | = | 31.62 | nM | 7.5 | In vitro inhibition of collagen-induced thromboxane A2 production in human whole... | - |
| Thromboxane A2 receptor | Kd | = | 199.53 | nM | 6.7 | In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induce... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81051-9 | Thromboxane A2 receptor | 2 |
| - | 10.1016/S0960-894X(01)81051-9 | Canis familiaris | 2 |
| - | 10.1016/S0960-894X(01)81051-9 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine