Compound Detail
CHEMBL3404016
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
COc1ccc(CNc2nc(N3CCC[C@H]3CO)ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
Basic Information
| ChEMBL ID | CHEMBL3404016 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCPRQVBIYYJVHB-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
543.0
MW (Da)
3.97
ALogP
10
HBA
2
HBD
115.3
PSA (Ų)
0.34
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL2304402 | IC50 | 9.68 | 9.68 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 0.21 | nM | 9.68 | Inhibition of canine lung PDE5 using [3H]cGMP incubated for 30 mins by scintilla... | 25754491 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25754491 | 10.1016/j.bmcl.2015.02.041 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 25754491 | 10.1016/j.bmcl.2015.02.041 | Unchecked | 1 |
| 25754491 | 10.1016/j.bmcl.2015.02.041 | Corpus cavernosum | 1 |
Data from ChEMBL 36 via Core Engine