Compound Detail
CHEMBL7718
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Basic Information
| ChEMBL ID | CHEMBL7718 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUTLOCQNGLJNSA-JAIQZWGSSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
405.5
MW (Da)
4.41
ALogP
4
HBA
3
HBD
110.4
PSA (Ų)
0.21
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.4
EC50 1 meas. best 4.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 8.4 | 7.1 | 4.0 | 2 |
| Thromboxane A2 receptor CHEMBL2069 | IC50 | 7.96 | 6.77 | 11.0 | 2 |
| Homo sapiens CHEMBL372 | EC50 | 4.32 | 4.32 | 48000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thromboxane-A synthase | IC50 | = | 4.0 | nM | 8.4 | In vitro inhibitory concentration of compound against thromboxane A2 synthase | 11327579 |
| Thromboxane A2 receptor | IC50 | = | 11.0 | nM | 7.96 | In vitro inhibitory concentration of compound against thromboxane A2 receptor | 11327579 |
| Thromboxane-A synthase | IC50 | = | 1600.0 | nM | 5.8 | In vitro activity on thromboxane A2 synthase inhibition in gel filtered human pl... | 10197967 |
| Thromboxane A2 receptor | IC50 | = | 2600.0 | nM | 5.58 | In vitro activity on thromboxane A2 receptor antagonism in gel filtered human pl... | 10197967 |
| Homo sapiens | EC50 | = | 48000.0 | nM | 4.32 | In vitro activity expressed as EC50 for inhibition of collagen induced platelet ... | 10197967 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11327579 | 10.1016/s0960-894x(01)00114-7 | Thromboxane A2 receptor | 1 |
| 11327579 | 10.1016/s0960-894x(01)00114-7 | Thromboxane-A synthase | 1 |
| 10197967 | 10.1021/jm9707941 | Thromboxane A2 receptor | 1 |
| 10197967 | 10.1021/jm9707941 | Thromboxane-A synthase | 1 |
| 10197967 | 10.1021/jm9707941 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine