Compound Detail
CHEMBL3360170
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 | CHEMBL3360170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSNLHLHGJSLJQA-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
431.5
MW (Da)
3.70
ALogP
8
HBA
1
HBD
89.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A CHEMBL3012 | IC50 | 9.17 | 9.17 | 0.7 | 1 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A CHEMBL241 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Lymphocyte CHEMBL612599 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.55 | 6.55 | 280.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | IC50 | = | 0.68 | nM | 9.17 | Inhibition of PDE7A (unknown origin) | 25529739 |
| cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | IC50 | = | 29.0 | nM | 7.54 | Inhibition of PDE3A (unknown origin) | 25529739 |
| Lymphocyte | IC50 | = | 160.0 | nM | 6.8 | Inhibition of IL2 production from mouse activated lymphocytes | 25529739 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 280.0 | nM | 6.55 | Inhibition of PDE4B (unknown origin) | 25529739 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 520.0 | nM | 6.28 | Inhibition of PDE5A (unknown origin) | 25529739 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25529739 | 10.1016/j.bmcl.2014.11.090 | High affinity 3',5'-cyclic-AMP phosphodiesterase 7A | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | No relevant target | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | Lymphocyte | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A | 1 |
| 25529739 | 10.1016/j.bmcl.2014.11.090 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine