Compound Detail
CHEMBL5822094
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Basic Information
| ChEMBL ID | CHEMBL5822094 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTTOFFAKCDYQOO-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
327.3
MW (Da)
3.50
ALogP
4
HBA
2
HBD
62.7
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 7.5 | 7.5 | 32.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 27.0 | nM | 7.57 | PDE3B Enzyme Inhibition: The commercially available 3H-cAMP Scintillation Proxim... | - |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 32.0 | nM | 7.5 | PDE3A Enzyme Inhibition: The commercially available 3H-cAMP Scintillation Proxim... | - |
Data from ChEMBL 36 via Core Engine