Compound Detail
CHEMBL17516
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Basic Information
| ChEMBL ID | CHEMBL17516 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BDMKPUAZENLRDY-UHFFFAOYSA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
213.2
MW (Da)
1.76
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.7
Kd 1 meas. best 6.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein cereblon CHEMBL3763008 | Kd | 6.38 | 6.38 | 416.0 | 1 |
| Thromboxane-A synthase CHEMBL1835 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.7 | 4.9 | 2000.0 | 2 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.15 | 4.15 | 71000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein cereblon | Kd | = | 416.0 | nM | 6.38 | Â Fluorescence Direct Binding Protocol: Process 1) Optimization of measurement p... | - |
| Homo sapiens | IC50 | = | 2000.0 | nM | 5.7 | In vitro inhibition of ADP-induced aggregation of human PRP in the presence of p... | 1311763 |
| Thromboxane-A synthase | IC50 | = | 2000.0 | nM | 5.7 | Compound was evaluated for the inhibition of human blood platelet, thromboxane A... | 1311763 |
| Phosphodiesterase 3 | IC50 | = | 16000.0 | nM | 4.8 | Inhibition of human blood platelet c-AMP phosphodiesterase | 1311763 |
| Unchecked | IC50 | = | 71000.0 | nM | 4.15 | Inhibition of crude canine cardiac c-AMP phosphodiesterase | 2542552 |
| Homo sapiens | IC50 | = | 80000.0 | nM | 4.1 | 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 | Homo sapiens | 3 |
| 2542552 | 10.1021/jm00126a005 | Mustela putorius furo | 1 |
| 2542552 | 10.1021/jm00126a005 | Unchecked | 1 |
| 1311763 | 10.1021/jm00082a002 | Phosphodiesterase 3 | 1 |
| 1311763 | 10.1021/jm00082a002 | Thromboxane-A synthase | 1 |
| 1311763 | 10.1021/jm00082a002 | Rattus norvegicus | 1 |
| 1311763 | 10.1021/jm00082a002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine