Compound Detail
CHEMBL299631
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Basic Information
| ChEMBL ID | CHEMBL299631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JHPWSIOCWUJGJE-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
1.46
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.84
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 7.05 | 6.99 | 90.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 90.0 | nM | 7.05 | Inhibition of human recombinant PDE3 expressed in Escherichia coli | 37077378 |
| Phosphodiesterase 3 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of canine cardiac Phosphodiesterase 3 | 1732525 |
| Phosphodiesterase 3 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of cAMP PDE III enzyme | 2822927 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3761304 | 10.1021/jm00160a006 | Canis familiaris | 4 |
| 1732525 | 10.1021/jm00079a023 | Canis familiaris | 2 |
| 2985781 | 10.1021/jm50001a001 | Phosphodiesterase 1 | 1 |
| 2985781 | 10.1021/jm50001a001 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 2985781 | 10.1021/jm50001a001 | Phosphodiesterase 3 | 1 |
| 2822927 | 10.1021/jm00394a006 | Phosphodiesterase 3 | 1 |
| 1732525 | 10.1021/jm00079a023 | Phosphodiesterase 3 | 1 |
| 37077378 | 10.1021/acsmedchemlett.3c00092 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine