Compound Detail
CHEMBL163276
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
Basic Information
| ChEMBL ID | CHEMBL163276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CRSIIGUKJRYLGG-ZZIIXHQDSA-N |
3
Targets
3
Activities
2
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
593.4
MW (Da)
3.84
ALogP
6
HBA
2
HBD
118.0
PSA (Ų)
0.14
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.9
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL3156 | Kd | 7.9 | 7.9 | 12.6 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 6.7 | 6.7 | 199.5 | 1 |
| Thromboxane A2 receptor CHEMBL2069 | Kd | 5.8 | 5.8 | 1584.9 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | hr | - |
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 | In vitro thromboxane A2 receptor antagonism through inhibition of U-46619 induce... | - |
| Thromboxane-A synthase | IC50 | = | 199.53 | nM | 6.7 | In vitro inhibition of collagen-induced thromboxane A2 production in human whole... | - |
| Thromboxane A2 receptor | Kd | = | 1584.89 | nM | 5.8 | 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 | Thromboxane-A synthase | 1 |
| - | 10.1016/S0960-894X(01)81051-9 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine