Compound Detail
CHEMBL91952
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Basic Information
| ChEMBL ID | CHEMBL91952 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFUGTPWTEWOYNG-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
3.93
ALogP
4
HBA
0
HBD
39.8
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.92 | 5.92 | 1200.0 | 1 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.07 | 4.07 | 86000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 1200.0 | nM | 5.92 | Inhibitory potency against guinea pig ventricular phosphodiesterase 4 | 11128646 |
| Phosphodiesterase 4 | IC50 | = | 2000.0 | nM | 5.7 | Displacement of [3H]rolipram from high affinity binding site (HARBS) in rat brai... | 11128646 |
| Phosphodiesterase 3 | IC50 | = | 86000.0 | nM | 4.07 | Inhibitory potency against guinea pig ventricular phosphodiesterase 3 | 11128646 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 4 | 2 |
| 11128646 | 10.1016/s0960-894x(00)00548-5 | Phosphodiesterase 3 | 1 |
Data from ChEMBL 36 via Core Engine