Compound Detail
CHEMBL314612
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Basic Information
| ChEMBL ID | CHEMBL314612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IZLRMTJLQCLMKF-UHFFFAOYSA-N |
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.85
ALogP
6
HBA
1
HBD
80.2
PSA (Ų)
0.80
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.3
EC50 3 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 7.3 | 6.648 | 50.0 | 5 |
| Cavia porcellus CHEMBL369 | EC50 | 5.77 | 5.545 | 1700.0 | 2 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.77 | 5.77 | 1700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of guinea pig heart Phosphodiesterase 3 | - |
| Phosphodiesterase 3 | IC50 | = | 50.0 | nM | 7.3 | Inhibition of phosphodiesterase 3 | - |
| Phosphodiesterase 3 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of guinea pig heart Phosphodiesterase 3 | - |
| Cavia porcellus | EC50 | = | 1700.0 | nM | 5.77 | Increasing force in skinned fibers at constant buffered Ca-concentration | - |
| NON-PROTEIN TARGET | EC50 | = | 1700.0 | nM | 5.77 | Calcium sensitizing activity | - |
| Phosphodiesterase 3 | IC50 | = | 1940.0 | nM | 5.71 | Inhibition of guinea pig heart Phosphodiesterase 3 | - |
| Phosphodiesterase 3 | IC50 | = | 1940.0 | nM | 5.71 | Inhibition of phosphodiesterase 3 | - |
| Cavia porcellus | EC50 | = | 4800.0 | nM | 5.32 | Increasing force in skinned fibers at constant buffered Ca-concentration | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81203-8 | Cavia porcellus | 3 |
| - | 10.1016/S0960-894X(01)81203-8 | Phosphodiesterase 3 | 3 |
| - | 10.1016/S0960-894X(01)80288-2 | NON-PROTEIN TARGET | 2 |
| - | 10.1016/S0960-894X(01)80288-2 | Phosphodiesterase 3 | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 7636855 | 10.1021/jm00015a017 | Sus scrofa | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
| - | 10.6019/CHEMBL5441142 | Schistosoma mansoni | 1 |
Data from ChEMBL 36 via Core Engine