Compound Detail
CHEMBL312868
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CCOc1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCC
Basic Information
| ChEMBL ID | CHEMBL312868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZUNUTXZGBJXGF-VQTJNVASSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
434.5
MW (Da)
4.52
ALogP
5
HBA
1
HBD
88.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 5.012 | nM | 8.3 | Inhibitory activity against phosphodiesterase 4 carried out in the cytosol of hu... | 12036361 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12036361 | 10.1021/jm0110338 | Phosphodiesterase 4 | 1 |
| 12036361 | 10.1021/jm0110338 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine