Compound Detail
CHEMBL250546
SCH-351591 Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL250546 |
| Name | SCH-351591 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RUOGJYKOQBFJIG-UHFFFAOYSA-N |
4
Targets
7
Activities
1
Assay Types
6
PK Parameters
14
Publications
0
Known Names
Molecular Properties
432.2
MW (Da)
4.45
ALogP
4
HBA
1
HBD
78.2
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.22 | 7.22 | 60.0 | 3 |
| 3',5'-cyclic-AMP phosphodiesterase 4B CHEMBL275 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.22 | 7.02 | 60.0 | 2 |
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 6.82 | 6.82 | 150.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 50503.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 15757.0 | ng.hr.mL-1 | Cavia porcellus |
| AUC | 15757.0 | ng.hr.mL-1 | Cavia porcellus |
| Cmax | 7075.59 | nM | Rattus norvegicus |
| Cmax | 3223.12 | nM | Cavia porcellus |
| Cmax | 3223.12 | nM | Cavia porcellus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of Phosphodiesterase 4 from human U937 cells | 12039576 |
| Phosphodiesterase 4 | IC50 | = | 60.0 | nM | 7.22 | Inhibition of Phosphodiesterase 4 | 12039576 |
| 3',5'-cyclic-AMP phosphodiesterase 4B | IC50 | = | 60.0 | nM | 7.22 | Inhibition of PDE4B | 17683932 |
| Unchecked | IC50 | = | 60.0 | nM | 7.22 | Inhibition of PDE4 | 18686943 |
| Phosphodiesterase 4 | IC50 | = | 59.98 | nM | 7.22 | Inhibition of PDE4 in Homo sapiens (human) U937 cells | - |
| Phosphodiesterase 4 | IC50 | = | 150.0 | nM | 6.82 | Inhibition of rolipram binding to PDE4 of rat brain | 12039576 |
| Unchecked | IC50 | = | 150.0 | nM | 6.82 | Displacement of [3H]rolipram from PDE4 by RBA | 18686943 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885881 | Rattus norvegicus | 474 |
| 12039576 | 10.1016/s0960-894x(02)00225-1 | Phosphodiesterase 4 | 4 |
| 12039576 | 10.1016/s0960-894x(02)00225-1 | ADMET | 4 |
| 12039576 | 10.1016/s0960-894x(02)00225-1 | Rattus norvegicus | 2 |
| 18686943 | 10.1021/jm800582j | Unchecked | 2 |
| 12039576 | 10.1016/s0960-894x(02)00225-1 | Phosphodiesterase 1 | 1 |
| 12039576 | 10.1016/s0960-894x(02)00225-1 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 12039576 | 10.1016/s0960-894x(02)00225-1 | Phosphodiesterase 3 | 1 |
| 12039576 | 10.1016/s0960-894x(02)00225-1 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 12039576 | 10.1016/s0960-894x(02)00225-1 | Phosphodiesterase 7 | 1 |
| 17683932 | 10.1016/j.bmcl.2007.06.092 | 3',5'-cyclic-AMP phosphodiesterase 4B | 1 |
| 17683932 | 10.1016/j.bmcl.2007.06.092 | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A | 1 |
| 17683932 | 10.1016/j.bmcl.2007.06.092 | Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A | 1 |
| - | 10.1007/s00044-012-0457-4 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine