Compound Detail
CHEMBL318586
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Basic Information
| ChEMBL ID | CHEMBL318586 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZTRURMGGKLLTNK-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
7
PK Parameters
4
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
5.72
ALogP
3
HBA
1
HBD
61.0
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.52
Ki 1 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 7.07 | 7.07 | 86.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3256.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 3140.0 | ng.hr.mL-1 | Mus musculus |
| CL | 5.0 | mL.min-1.kg-1 | Mus musculus |
| F | 96.0 | % | Mus musculus |
| T1/2 | 3.6 | hr | Mus musculus |
| T1/2 | 2.5 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of phosphodiesterase type IV (PDE4) activity | 9873675 |
| Phosphodiesterase 4 | Ki | = | 86.0 | nM | 7.07 | Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) | 9873675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873675 | 10.1016/s0960-894x(98)00572-1 | Mus musculus | 10 |
| 9873675 | 10.1016/s0960-894x(98)00572-1 | Rattus norvegicus | 9 |
| 9873675 | 10.1016/s0960-894x(98)00572-1 | Phosphodiesterase 4 | 2 |
| 9873675 | 10.1016/s0960-894x(98)00572-1 | Canis familiaris | 1 |
Data from ChEMBL 36 via Core Engine