Compound Detail
CHEMBL150598
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Basic Information
| ChEMBL ID | CHEMBL150598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VSBMIKSTPGIAGB-KTZMUZOWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
507.6
MW (Da)
4.60
ALogP
7
HBA
2
HBD
123.8
PSA (Ų)
0.27
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | Kd | 5.17 | 5.17 | 6724.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | Kd | = | 6724.2 | nM | 5.17 | In vitro for antagonistic activity against thromboxane synthase receptor | 9876106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9876106 | 10.1021/jm980173n | Thromboxane A2 receptor | 1 |
| 9876106 | 10.1021/jm980173n | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine