Compound Detail
CHEMBL170747
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 | CHEMBL170747 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDGKVHITCQLBLJ-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
488.6
MW (Da)
6.43
ALogP
4
HBA
2
HBD
92.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.51
Kd 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Kd | 7.72 | 7.72 | 19.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 7.51 | 7.235 | 31.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 19.0 | nM | 7.72 | Dissociation constant was determined from radioligand binding studies in human p... | - |
| Homo sapiens | IC50 | = | 31.0 | nM | 7.51 | Tested for inhibition of platelet aggregation induced by arachidonic acid (AAIPA... | - |
| Homo sapiens | IC50 | = | 110.0 | nM | 6.96 | Tested for inhibition of platelet aggregation induced by U-46,619 (U-IPA) in hum... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80592-2 | Homo sapiens | 2 |
| - | 10.1016/S0960-894X(00)80592-2 | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine