Compound Detail
CHEMBL366545
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Basic Information
| ChEMBL ID | CHEMBL366545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRKWOSUWLWGUDC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
2.75
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 1 CHEMBL2095150 | IC50 | 5.31 | 5.31 | 4900.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 4.57 | 4.57 | 27000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 1 | IC50 | = | 4900.0 | nM | 5.31 | Inhibition of Calmodulin Sensitive Phosphodiesterase 1 from pig coronary artery | 2423691 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 27000.0 | nM | 4.57 | Inhibition of Phosphodiesterase 2 from pig coronary artery | 2423691 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2423691 | 10.1021/jm00156a013 | Phosphodiesterase 1 | 1 |
| 2423691 | 10.1021/jm00156a013 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine