Compound Detail
CHEMBL2110369
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Basic Information
| ChEMBL ID | CHEMBL2110369 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCKYWXAYWISPGY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
374.4
MW (Da)
3.64
ALogP
3
HBA
1
HBD
69.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 6.52 | 6.52 | 300.0 | 1 |
| Phosphodiesterase 1 CHEMBL2097166 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 300.0 | nM | 6.52 | Inhibitory activity against bovine PDE5 (phosphodiesterase-5). | 14521414 |
| Phosphodiesterase 1 | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of bovine aorta PDE1 (phosphodiesterase 1) | 14521414 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14521414 | 10.1021/jm030056e | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 14521414 | 10.1021/jm030056e | Phosphodiesterase 1 | 1 |
| 14521414 | 10.1021/jm030056e | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 14521414 | 10.1021/jm030056e | Phosphodiesterase 3B | 1 |
| 14521414 | 10.1021/jm030056e | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine