Compound Detail
CHEMBL158201
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Basic Information
| ChEMBL ID | CHEMBL158201 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVFWZZNOQSIYGX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
3.41
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thromboxane-A synthase CHEMBL1835 | IC50 | 6.46 | 6.46 | 350.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 6.46 | 5.41 | 350.0 | 2 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 350.0 | nM | 6.46 | In vitro inhibition of ADP-induced aggregation of human PRP in the presence of p... | 1311763 |
| Thromboxane-A synthase | IC50 | = | 350.0 | nM | 6.46 | Compound was evaluated for the inhibition of human blood platelet, thromboxane A... | 1311763 |
| Phosphodiesterase 3 | IC50 | = | 40000.0 | nM | 4.4 | Inhibition of human blood platelet c-AMP phosphodiesterase | 1311763 |
| Homo sapiens | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of ADP-induced aggregation of human PRP in the absence of pig aortal ... | 1311763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1311763 | 10.1021/jm00082a002 | Mus musculus | 3 |
| 1311763 | 10.1021/jm00082a002 | Homo sapiens | 2 |
| 1311763 | 10.1021/jm00082a002 | Phosphodiesterase 3 | 1 |
| 1311763 | 10.1021/jm00082a002 | Thromboxane-A synthase | 1 |
| 1311763 | 10.1021/jm00082a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine