Compound Detail
CHEMBL70569
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 | CHEMBL70569 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUUJQFQTLSFCKW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
440.9
MW (Da)
3.93
ALogP
7
HBA
2
HBD
96.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL3478 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL3477 | IC50 | 4.96 | 4.96 | 10900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 4.0 | nM | 8.4 | Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified fr... | 9216839 |
| Phosphodiesterase 4 | IC50 | = | 5700.0 | nM | 5.24 | Inhibition of canine kidney Phosphodiesterase 4 (PDE4) | 9216839 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 10900.0 | nM | 4.96 | Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2) | 9216839 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9216839 | 10.1021/jm9608467 | Phosphodiesterase 1 | 1 |
| 9216839 | 10.1021/jm9608467 | Phosphodiesterase 3B | 1 |
| 9216839 | 10.1021/jm9608467 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 9216839 | 10.1021/jm9608467 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 9216839 | 10.1021/jm9608467 | Phosphodiesterase 4 | 1 |
| 9216839 | 10.1021/jm9608467 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine