Compound Detail
CHEMBL110484
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Basic Information
| ChEMBL ID | CHEMBL110484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBWAWWBDNVNJRI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
4.27
ALogP
5
HBA
1
HBD
74.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 8.84 | 8.84 | 1.4 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 1.45 | nM | 8.84 | In vivo inhibition of cyclic AMP phosphodiesterase from human platelets | 3027339 |
| Unchecked | IC50 | = | 420.0 | nM | 6.38 | Inhibition of ADP-induced platelet aggregation | 3027339 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3027339 | 10.1021/jm00385a012 | Unchecked | 3 |
| 3027339 | 10.1021/jm00385a012 | Phosphodiesterase 3 | 1 |
| 3027339 | 10.1021/jm00385a012 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine