Compound Detail
CHEMBL17125
PELRINONE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL17125 |
| Name | PELRINONE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | NZXHFDXOCVIYLO-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
4
PK Parameters
14
Publications
2
Known Names
Molecular Properties
241.2
MW (Da)
0.96
ALogP
5
HBA
2
HBD
94.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Achiral |
Activity Summary
IC50 4 meas. best 5.4
EC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.4 | 4.6533 | 4000.0 | 3 |
| Felis catus CHEMBL612670 | EC50 | 5.3 | 5.265 | 5000.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 4.0 | mL.min-1.kg-1 | Homo sapiens |
| CL | 11.0 | mL.min-1.kg-1 | Canis lupus familiaris |
| CL | 13.0 | mL.min-1.kg-1 | Macaca |
| CL | 28.0 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of canine cardiac cAMP phosphodiesterase (cAMP-PDE) | 3039132 |
| Unchecked | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of crude canine cardiac c-AMP phosphodiesterase | 2542552 |
| Felis catus | EC50 | = | 5000.0 | nM | 5.3 | In vitro inotropic effect in cat papillary muscle | 2832602 |
| Felis catus | EC50 | = | 5900.0 | nM | 5.23 | The inotropic activity was assayed in vitro in cat papillary muscle | 2832602 |
| Unchecked | IC50 | = | 36000.0 | nM | 4.44 | Inhibition of bovine cardiac phosphodiesterase fraction III | 2832602 |
| Unchecked | IC50 | = | 76000.0 | nM | 4.12 | Inhibition of crude bovine cardiac phosphodiesterase | 2832602 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2832602 | 10.1021/jm00399a023 | Canis familiaris | 8 |
| 15920768 | 10.1002/jps.20373 | ADMET | 8 |
| 16019946 | 10.1080/00498250400028197 | ADMET | 4 |
| 2832602 | 10.1021/jm00399a023 | Felis catus | 3 |
| 3039132 | 10.1021/jm00391a013 | Canis familiaris | 3 |
| 2832602 | 10.1021/jm00399a023 | Unchecked | 2 |
| 3027335 | 10.1021/jm00385a001 | Phosphodiesterase; PDE3 & PDE4 | 2 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| 3039132 | 10.1021/jm00391a013 | Phosphodiesterase 4 | 1 |
| 3039132 | 10.1021/jm00391a013 | Mustela putorius furo | 1 |
| 2542552 | 10.1021/jm00126a005 | Mustela putorius furo | 1 |
| 2542552 | 10.1021/jm00126a005 | Unchecked | 1 |
| 3027335 | 10.1021/jm00385a001 | Beta-1 adrenergic receptor | 1 |
| 19603833 | 10.1021/jm9004658 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine