Compound Detail
CHEMBL107939
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Basic Information
| ChEMBL ID | CHEMBL107939 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZKKKIYRDQBHBMM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
442.6
MW (Da)
2.71
ALogP
6
HBA
2
HBD
94.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 8.19 | 8.19 | 6.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 6.4 | nM | 8.19 | In vivo inhibition of cyclic AMP phosphodiesterase from human platelets | 3027339 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of ADP-induced platelet aggregation | 3027339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3027339 | 10.1021/jm00385a012 | Phosphodiesterase; PDE3 & PDE4 | 2 |
| 3027339 | 10.1021/jm00385a012 | Phosphodiesterase 3 | 1 |
| 3027339 | 10.1021/jm00385a012 | Unchecked | 1 |
| 3027339 | 10.1021/jm00385a012 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine