Compound Detail
CHEMBL193855
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCN1C(=O)c2nc(C#Cc3ccccc3)n(Cc3ccc(OC)cc3)c2N2C[C@@H](Cc3ccccc3)N=C12
Basic Information
| ChEMBL ID | CHEMBL193855 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKWAXJGGLXQNDQ-AREMUKBSSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
4.60
ALogP
6
HBA
0
HBD
63.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 20.0 | nM | 7.7 | 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 | Phosphodiesterases; PDE5 & PDE6 | 1 |
Data from ChEMBL 36 via Core Engine