Compound Detail
CHEMBL190735
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 | CHEMBL190735 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRUOHOABSYWLOL-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
446.6
MW (Da)
6.39
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.27
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.28
Ki 1 meas. best 6.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | Ki | 6.25 | 6.25 | 560.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.28 | 5.275 | 5200.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | Ki | = | 560.0 | nM | 6.25 | Inhibition of [3H]APS-314d binding to prostacyclin receptors (IP) of human plate... | 16078846 |
| Homo sapiens | IC50 | = | 5200.0 | nM | 5.28 | Inhibition of ADP (5 uM) induced platelet aggregation in human platelet rich pla... | 16078846 |
| Homo sapiens | IC50 | = | 5400.0 | nM | 5.27 | Inhibition of U-46,619 (2 uM) induced platelet aggregation in human platelet ric... | 16078846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16078846 | 10.1021/jm050194z | Homo sapiens | 2 |
| 16078846 | 10.1021/jm050194z | Prostacyclin receptor | 1 |
| 16078846 | 10.1021/jm050194z | Thromboxane A2 receptor | 1 |
Data from ChEMBL 36 via Core Engine