Compound Detail
CHEMBL2093042
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Basic Information
| ChEMBL ID | CHEMBL2093042 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISVRFRJMIDSUOC-INIZCTEOSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
388.5
MW (Da)
3.56
ALogP
5
HBA
1
HBD
75.3
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Ki 1 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | Ki | 7.2 | 7.2 | 63.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 19.0 | nM | 7.72 | Inhibitory activity against recombinant phosphodiesterase 4B (PDE4B) of human mo... | 11844693 |
| Phosphodiesterase 4 | Ki | = | 63.0 | nM | 7.2 | Displacement of [3H]rolipram from rat forebrain membrane | 11844693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11844693 | 10.1016/s0960-894x(01)00817-4 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 11844693 | 10.1016/s0960-894x(01)00817-4 | Rattus norvegicus | 1 |
| 11844693 | 10.1016/s0960-894x(01)00817-4 | Mus musculus | 1 |
| 11844693 | 10.1016/s0960-894x(01)00817-4 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine