Compound Detail
CHEMBL291537
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Basic Information
| ChEMBL ID | CHEMBL291537 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPLYWOYMTQLVSU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
4.56
ALogP
4
HBA
2
HBD
84.4
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| Phosphodiesterase 4 CHEMBL2111373 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 81.0 | nM | 7.09 | Inhibition of Phosphodiesterase 4 (PDE IV) from lung tissue | - |
| Phosphodiesterase 4 | IC50 | = | 220.0 | nM | 6.66 | Displacement of [3H]-Rolipram from mouse brain homogenates | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00334-P | Phosphodiesterase 4 | 2 |
Data from ChEMBL 36 via Core Engine