Compound Detail
CHEMBL2172734
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Basic Information
| ChEMBL ID | CHEMBL2172734 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OXMXRHWOUVHGDC-XDHOZWIPSA-N |
6
Targets
8
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
328.4
MW (Da)
2.82
ALogP
5
HBA
0
HBD
60.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.28
EC50 1 meas. best 5.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4D CHEMBL288 | IC50 | 7.13 | 7.13 | 74.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.98 | 6.3233 | 105.0 | 3 |
| 3',5'-cyclic-AMP phosphodiesterase 4A CHEMBL254 | IC50 | 6.8 | 6.8 | 159.0 | 1 |
| 3',5'-cyclic-AMP phosphodiesterase 4C CHEMBL291 | IC50 | 6.3 | 6.3 | 505.0 | 1 |
| PBMC CHEMBL613107 | EC50 | 5.84 | 5.84 | 1450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 53.0 | nM | 7.28 | Inhibition of human recombinant PDE4B | 22891752 |
| 3',5'-cyclic-AMP phosphodiesterase 4D | IC50 | = | 74.0 | nM | 7.13 | Inhibition of human recombinant PDE4D | 22891752 |
| Unchecked | IC50 | = | 105.0 | nM | 6.98 | Inhibition of bovine PDE4 using [3H]cAMP as substrate | 22891752 |
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Inhibition of bovine PDE5 using [3H]cAMP as substrate | 22891752 |
| 3',5'-cyclic-AMP phosphodiesterase 4A | IC50 | = | 159.0 | nM | 6.8 | Inhibition of human recombinant PDE4A | 22891752 |
| 3',5'-cyclic-AMP phosphodiesterase 4C | IC50 | = | 505.0 | nM | 6.3 | Inhibition of human recombinant PDE4C | 22891752 |
| PBMC | EC50 | = | 1450.0 | nM | 5.84 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 22891752 |
| Unchecked | IC50 | = | 6700.0 | nM | 5.17 | 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