Compound Detail
CHEMBL58728
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Basic Information
| ChEMBL ID | CHEMBL58728 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZUOGTJVNQLGUKO-UHFFFAOYSA-N |
1
Targets
10
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
2.24
ALogP
4
HBA
2
HBD
74.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 10 meas. best 4.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.92 | 4.92 | 12000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 12000.0 | nM | 4.92 | Inhibitory concentration against cAMP PDE III enzyme in guinea pig | 2822926 |
| Phosphodiesterase 3 | IC50 | = | 12000.0 | nM | 4.92 | Inhibition of cAMP PDE III enzyme | 2822927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3950907 | 10.1021/jm00152a015 | Canis familiaris | 12 |
| 2822926 | 10.1021/jm00394a005 | Phosphodiesterase 1 | 6 |
| 2822926 | 10.1021/jm00394a005 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 6 |
| 2822926 | 10.1021/jm00394a005 | Phosphodiesterase 3 | 3 |
| 2822926 | 10.1021/jm00394a005 | Unchecked | 2 |
| 2822927 | 10.1021/jm00394a006 | Phosphodiesterase 1 | 2 |
| 2822927 | 10.1021/jm00394a006 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 2 |
| 2822926 | 10.1021/jm00394a005 | Canis familiaris | 1 |
| 2822927 | 10.1021/jm00394a006 | Canis familiaris | 1 |
| 2822927 | 10.1021/jm00394a006 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine