Compound Detail
CHEMBL90477
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Basic Information
| ChEMBL ID | CHEMBL90477 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKKDLLVDBZNHQZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
1.34
ALogP
6
HBA
1
HBD
80.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 7.16 | 6.89 | 70.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 70.0 | nM | 7.16 | Inhibition of human platelet PDE by inhibiting cyclic Adenosine monophosphate (c... | 1321910 |
| Phosphodiesterase 3 | IC50 | = | 240.0 | nM | 6.62 | In vivo inhibition of cyclic AMP phosphodiesterase from human platelets | 3027339 |
| Unchecked | IC50 | = | 1600.0 | nM | 5.8 | 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 |
| 1321910 | 10.1021/jm00092a019 | Phosphodiesterase 3 | 1 |
| 1321910 | 10.1021/jm00092a019 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 1321910 | 10.1021/jm00092a019 | P2Y purinoceptor 12 | 1 |
Data from ChEMBL 36 via Core Engine