Compound Detail
CHEMBL77745
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Basic Information
| ChEMBL ID | CHEMBL77745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AJJQQVBTSKIKEJ-LICLKQGHSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
2.99
ALogP
4
HBA
2
HBD
69.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.35
Ki 1 meas. best 9.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2094267 | Ki | 9.47 | 9.47 | 0.3 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 8.35 | 8.35 | 4.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | Ki | = | 0.336 | nM | 9.47 | Binding affinity towards rolipram binding site on phosphodiesterase 4 using [3H]... | 12824033 |
| Phosphodiesterase 4 | IC50 | = | 4.51 | nM | 8.35 | Inhibitory activity against purified rat liver phosphodiesterase 4 | 12824033 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12824033 | 10.1016/s0960-894x(03)00405-0 | Phosphodiesterase 4 | 3 |
Data from ChEMBL 36 via Core Engine