Compound Detail
CHEMBL2172707
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 | CHEMBL2172707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GVRRXASZZAKBMN-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
164.6
MW (Da)
2.28
ALogP
2
HBA
0
HBD
25.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.79 | 6.79 | 162.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 6.64 | 6.64 | 231.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 6.21 | 6.21 | 622.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 5.43 | 5.43 | 3690.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 162.0 | nM | 6.79 | Inhibition of human recombinant PDE4A | 22891752 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 231.0 | nM | 6.64 | Inhibition of human recombinant PDE4B | 22891752 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 622.0 | nM | 6.21 | Inhibition of human recombinant PDE4D | 22891752 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 3690.0 | nM | 5.43 | Inhibition of human recombinant PDE4C | 22891752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22891752 | 10.1021/jm300514y | 3',5'-cyclic-AMP phosphodiesterase 4D | 1 |
| 22891752 | 10.1021/jm300514y | 3',5'-cyclic-AMP phosphodiesterase 4C | 1 |
| 22891752 | 10.1021/jm300514y | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 22891752 | 10.1021/jm300514y | 3',5'-cyclic-AMP phosphodiesterase 4A | 1 |
Data from ChEMBL 36 via Core Engine