Compound Detail
CHEMBL2172710
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Basic Information
| ChEMBL ID | CHEMBL2172710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKTNGRFKSAPNSA-WOJGMQOQSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
2.52
ALogP
5
HBA
1
HBD
71.4
PSA (Ų)
0.68
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.51
EC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.51 | 7.51 | 31.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.3 | 5.7567 | 50.0 | 3 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 7.19 | 7.19 | 64.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 6.69 | 6.69 | 206.0 | 1 |
| PBMC CHEMBL613107 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 31.0 | nM | 7.51 | Inhibition of human recombinant PDE4D | 22891752 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 47.0 | nM | 7.33 | Inhibition of human recombinant PDE4B | 22891752 |
| Unchecked | IC50 | = | 50.0 | nM | 7.3 | Inhibition of bovine PDE4 using [3H]cAMP as substrate | 22891752 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 64.0 | nM | 7.19 | Inhibition of human recombinant PDE4A | 22891752 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 206.0 | nM | 6.69 | Inhibition of human recombinant PDE4C | 22891752 |
| PBMC | EC50 | = | 520.0 | nM | 6.28 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 22891752 |
| Unchecked | IC50 | = | 9100.0 | nM | 5.04 | Inhibition of PDE6 | 22891752 |
| Unchecked | IC50 | = | 11800.0 | nM | 4.93 | Inhibition of bovine PDE3 using [3H]cAMP as substrate | 22891752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22891752 | 10.1021/jm300514y | Mus musculus | 7 |
| 22891752 | 10.1021/jm300514y | Unchecked | 7 |
| 22891752 | 10.1021/jm300514y | PBMC | 2 |
| 22891752 | 10.1021/jm300514y | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 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