Compound Detail
CHEMBL191162
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Basic Information
| ChEMBL ID | CHEMBL191162 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDKUAZTYZWITOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
6.41
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 4.25 | 4.25 | 56000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 56000.0 | nM | 4.25 | 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