Compound Detail
CHEMBL3360417
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(NC(=O)[C@@H](CC(C)C)Nc2nc3c(cnn3C3CCCC3)c(=O)[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL3360417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZWQRKOJTRFTAR-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
438.5
MW (Da)
3.71
ALogP
7
HBA
3
HBD
113.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A CHEMBL3535 | IC50 | 8.09 | 8.09 | 8.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | IC50 | = | 8.1 | nM | 8.09 | Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP... | 25432025 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25432025 | 10.1021/jm500836h | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
Data from ChEMBL 36 via Core Engine