Compound Detail
CHEMBL160790
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Basic Information
| ChEMBL ID | CHEMBL160790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PERHUGCCUROAON-FNORWQNLSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.40
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.92 | 5.585 | 1200.0 | 2 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 1200.0 | nM | 5.92 | In vitro inhibition of ADP-induced aggregation of human PRP in the presence of p... | 1311763 |
| Thromboxane-A synthase | IC50 | = | 1200.0 | nM | 5.92 | Compound was evaluated for the inhibition of human blood platelet thromboxane A2... | 1311763 |
| Homo sapiens | IC50 | = | 5600.0 | nM | 5.25 | Inhibition of ADP-induced aggregation of human PRP in the absence of pig aortal ... | 1311763 |
| Phosphodiesterase 3 | IC50 | = | 6400.0 | nM | 5.19 | Inhibition of human blood platelet c-AMP phosphodiesterase | 1311763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1311763 | 10.1021/jm00082a002 | Rattus norvegicus | 43 |
| 1311763 | 10.1021/jm00082a002 | Mus musculus | 11 |
| 1311763 | 10.1021/jm00082a002 | Homo sapiens | 9 |
| 1311763 | 10.1021/jm00082a002 | Thromboxane-A synthase | 2 |
| 1311763 | 10.1021/jm00082a002 | Phosphodiesterase 3 | 1 |
| 1311763 | 10.1021/jm00082a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine