Compound Detail
CHEMBL281065
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)c2c(nc(Cc3ccccc3)n2Cc2ccc(C)cc2)N2C1=N[C@@H]1CCC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL281065 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FLTLYMWOWGQOKE-YADHBBJMSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
439.6
MW (Da)
4.40
ALogP
5
HBA
0
HBD
53.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 7.4 | 7.4 | 39.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 40.0 | nM | 7.4 | Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme | 14980684 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 39.81 | nM | 7.4 | Inhibition of PDE5 | 18045743 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14980684 | 10.1016/j.bmcl.2003.12.027 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 14980684 | 10.1016/j.bmcl.2003.12.027 | Phosphodiesterases; PDE5 & PDE6 | 1 |
| 18045743 | 10.1016/j.ejmech.2007.10.019 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 18045743 | 10.1016/j.ejmech.2007.10.019 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine