Compound Detail
CHEMBL449708
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Basic Information
| ChEMBL ID | CHEMBL449708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APZGHLKUAICCAJ-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
381.2
MW (Da)
3.67
ALogP
5
HBA
2
HBD
89.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Ki 2 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.6 | 7.6 | 25.0 | 2 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 35.0 | % | Mus musculus |
| F | 35.0 | % | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 25.0 | nM | 7.6 | Inhibition of Rolipram binding to PDE4 | 9873613 |
| Unchecked | Ki | = | 25.0 | nM | 7.6 | Displacement of [3H]rolipram from PDE4 by RBA | 18686943 |
| Phosphodiesterase 4 | IC50 | = | 42.0 | nM | 7.38 | Inhibition of PDE4 from guinea pig macrophages | 9873613 |
| Unchecked | IC50 | = | 42.0 | nM | 7.38 | Inhibition of PDE4 | 18686943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873613 | 10.1016/s0960-894x(98)00497-1 | Mus musculus | 2 |
| 18686943 | 10.1021/jm800582j | Unchecked | 2 |
| 9873613 | 10.1016/s0960-894x(98)00497-1 | Phosphodiesterase 4 | 1 |
| 9873613 | 10.1016/s0960-894x(98)00497-1 | Unchecked | 1 |
| 9873613 | 10.1016/s0960-894x(98)00497-1 | Rattus norvegicus | 1 |
| 18686943 | 10.1021/jm800582j | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine