Compound Detail
CHEMBL191175
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Basic Information
| ChEMBL ID | CHEMBL191175 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGEZAYLQGHBZBR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
460.6
MW (Da)
6.78
ALogP
4
HBA
1
HBD
59.7
PSA (Ų)
0.24
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 5.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostacyclin receptor CHEMBL1995 | Ki | 5.54 | 5.54 | 2900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostacyclin receptor | Ki | = | 2900.0 | nM | 5.54 | Inhibition of [3H]APS-314d binding to prostacyclin receptors (IP) of human plate... | 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