Compound Detail
CHEMBL157897
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Basic Information
| ChEMBL ID | CHEMBL157897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMGRMMKTFFEGTJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
2.73
ALogP
5
HBA
0
HBD
56.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 6.96 | 5.795 | 110.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 110.0 | nM | 6.96 | Concentration for inhibitory activity against phosphodiesterase 4 from rat liver | 11266153 |
| Phosphodiesterase 4 | IC50 | = | 23400.0 | nM | 4.63 | Binding affinity to rolipram binding site in isolated rat brain by rolipram bind... | 11266153 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11266153 | 10.1016/s0960-894x(00)00681-8 | Phosphodiesterase 4 | 8 |
Data from ChEMBL 36 via Core Engine