Compound Detail
CHEMBL2172709
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Basic Information
| ChEMBL ID | CHEMBL2172709 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFHDVPYZWWZGOY-XDHOZWIPSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
4
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 3 meas. best 6.68
EC50 1 meas. best 5.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.68 | 5.945 | 210.0 | 2 |
| PBMC CHEMBL613107 | EC50 | 5.8 | 5.8 | 1590.0 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 210.0 | nM | 6.68 | Inhibition of bovine PDE4 using [3H]cAMP as substrate | 22891752 |
| PBMC | EC50 | = | 1590.0 | nM | 5.8 | Antiinflammatory activity in human PBMC assessed as inhibition of LPS-induced TN... | 22891752 |
| Unchecked | IC50 | = | 6200.0 | nM | 5.21 | Inhibition of bovine PDE3 using [3H]cAMP as substrate | 22891752 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | IC50 | = | 16800.0 | nM | 4.78 | Inhibition of human PDE2 using [3H]cAMP as substrate | 22891752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22891752 | 10.1021/jm300514y | Unchecked | 7 |
| 22891752 | 10.1021/jm300514y | Mus musculus | 6 |
| 22891752 | 10.1021/jm300514y | PBMC | 2 |
| 22891752 | 10.1021/jm300514y | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine