Compound Detail
CHEMBL134580
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Basic Information
| ChEMBL ID | CHEMBL134580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYPXONRCPHTUGC-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.0
MW (Da)
3.95
ALogP
5
HBA
2
HBD
101.3
PSA (Ų)
0.43
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.52
Kd 1 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Canis familiaris CHEMBL373 | Kd | 8.26 | 8.26 | 5.5 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.01 | 5.72 | 980.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 3.0 | nM | 8.52 | In vitro inhibition of Thromboxane A2 synthase | 1447738 |
| Canis familiaris | Kd | = | 5.495 | nM | 8.26 | Evaluated for contraction of dog saphenous vein | 1447738 |
| Homo sapiens | IC50 | = | 980.0 | nM | 6.01 | In vitro inhibition of U 46619 induced aggregation of washed platelets | 1447738 |
| Homo sapiens | IC50 | = | 3700.0 | nM | 5.43 | Evaluated in vitro for the inhibition of U 46619 induced aggregation of platelet... | 1447738 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1447738 | 10.1021/jm00101a015 | Homo sapiens | 2 |
| 1447738 | 10.1021/jm00101a015 | Thromboxane-A synthase | 1 |
| 1447738 | 10.1021/jm00101a015 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine