Compound Detail
CHEMBL302514
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Basic Information
| ChEMBL ID | CHEMBL302514 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USVBAWGFPLBILY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
368.5
MW (Da)
5.30
ALogP
3
HBA
2
HBD
74.6
PSA (Ų)
0.47
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.72 | 6.72 | 190.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane A2 receptor | IC50 | = | 20.0 | nM | 7.7 | Compound was evaluated for its ability to inhibit specific binding of [3H]U-4661... | 1535377 |
| Oryctolagus cuniculus | IC50 | = | 190.0 | nM | 6.72 | Concentration required to reduced U-46619-induced contraction of the rabbit aort... | 1535377 |
| Homo sapiens | IC50 | = | 1400.0 | nM | 5.85 | Concentration required to reduced U-46619-induced aggregation of human platelet ... | 1535377 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1535377 | 10.1021/jm00090a009 | Thromboxane A2 receptor | 1 |
| 1535377 | 10.1021/jm00090a009 | Oryctolagus cuniculus | 1 |
| 1535377 | 10.1021/jm00090a009 | Homo sapiens | 1 |
| 1535377 | 10.1021/jm00090a009 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine