Compound Detail
CHEMBL46127
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Basic Information
| ChEMBL ID | CHEMBL46127 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSRABMBLFJSDDJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
287.3
MW (Da)
2.22
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase; PDE3 & PDE4 CHEMBL2095153 | IC50 | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase; PDE3 & PDE4 | IC50 | = | 36.0 | nM | 7.44 | Inhibition of dog left ventricle sarcoplasmic reticulum bound low-Km c-AMP phosp... | 1310113 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1310113 | 10.1021/jm00079a022 | Phosphodiesterase; PDE3 & PDE4 | 1 |
| 1310113 | 10.1021/jm00079a022 | Sarcoplasmic/endoplasmic reticulum calcium ATPase 2 | 1 |
Data from ChEMBL 36 via Core Engine