Compound Detail
CHEMBL439673
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CCN1C(=O)c2nc(C#Cc3ccccc3)n(Cc3ccccc3)c2N2C[C@@H](Cc3ccccc3)N=C12
Basic Information
| ChEMBL ID | CHEMBL439673 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MXSNFDDLEOXQNF-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
485.6
MW (Da)
4.59
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.48 | 7.48 | 33.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 33.0 | nM | 7.48 | Inhibition of human phosphodiesterase 5 | 15837326 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15837326 | 10.1016/j.bmcl.2005.02.083 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Phosphodiesterase, PDE1/PDE5 | 1 |
| 15837326 | 10.1016/j.bmcl.2005.02.083 | Phosphodiesterases; PDE5 & PDE6 | 1 |
Data from ChEMBL 36 via Core Engine