Compound Detail
CHEMBL4642517
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
Basic Information
| ChEMBL ID | CHEMBL4642517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FIUCLBJMUGCQTF-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
357.9
MW (Da)
4.06
ALogP
5
HBA
2
HBD
75.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A CHEMBL3535 | IC50 | 8.22 | 8.01 | 6.0 | 2 |
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 | = | 6.0 | nM | 8.22 | Inhibition Assay: Inhibition activities of all the N-substituted pyrazolo [3,4-d... | - |
| High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | IC50 | = | 16.0 | nM | 7.8 | Inhibition of PDE9A (unknown origin) | 33412421 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32527553 | 10.1016/j.bmcl.2020.127254 | Unchecked | 2 |
| 33412421 | 10.1016/j.ejmech.2020.113123 | High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A | 1 |
Data from ChEMBL 36 via Core Engine