Compound Detail
CHEMBL601295
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Basic Information
| ChEMBL ID | CHEMBL601295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIKIUXHQFRRNPC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.5
MW (Da)
2.17
ALogP
5
HBA
2
HBD
85.9
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 5.78 | 5.78 | 1650.0 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B CHEMBL290 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 1650.0 | nM | 5.78 | Inhibition of human PDE3A by fluorescence microplate reader | 20005117 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | IC50 | = | 2800.0 | nM | 5.55 | Inhibition of human PDE3B by fluorescence microplate reader | 20005117 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20005117 | 10.1016/j.bmc.2009.11.044 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 20005117 | 10.1016/j.bmc.2009.11.044 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B | 1 |
Data from ChEMBL 36 via Core Engine