Compound Detail
CHEMBL86331
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Basic Information
| ChEMBL ID | CHEMBL86331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMMMKQICQWZCCZ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
3.63
ALogP
5
HBA
1
HBD
53.9
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 7.1 | 5.965 | 80.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 80.0 | nM | 7.1 | Inhibition of phosphodiesterase 3 | - |
| Phosphodiesterase 3 | IC50 | = | 14800.0 | nM | 4.83 | Inhibition of phosphodiesterase 3 | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80288-2 | NON-PROTEIN TARGET | 2 |
| - | 10.1016/S0960-894X(01)80288-2 | Phosphodiesterase 3 | 2 |
Data from ChEMBL 36 via Core Engine