Compound Detail
CHEMBL157346
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Basic Information
| ChEMBL ID | CHEMBL157346 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FRWUXUOKHFDIMI-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.13
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of human blood platelet c-AMP phosphodiesterase | 1311763 |
| Homo sapiens | IC50 | = | 25000.0 | nM | 4.6 | In vitro inhibition of ADP-induced aggregation of human PRP in the presence of p... | 1311763 |
| Thromboxane-A synthase | IC50 | = | 25000.0 | nM | 4.6 | Compound was evaluated for the inhibition of human blood platelet thromboxane A2... | 1311763 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1311763 | 10.1021/jm00082a002 | Homo sapiens | 2 |
| 1311763 | 10.1021/jm00082a002 | Phosphodiesterase 3 | 1 |
| 1311763 | 10.1021/jm00082a002 | Thromboxane-A synthase | 1 |
Data from ChEMBL 36 via Core Engine