Compound Detail
CHEMBL2110680
ISOMAZOLE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL2110680 |
| Name | ISOMAZOLE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | JQUKCPUPFALELS-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
14
Publications
2
Known Names
Molecular Properties
287.3
MW (Da)
2.37
ALogP
4
HBA
1
HBD
73.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 3 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 4.5 | 4.44 | 31622.8 | 2 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 3 | IC50 | = | 31622.78 | nM | 4.5 | Concentration of compound required for 50% inhibition of type III cAMP phosphodi... | - |
| Phosphodiesterase 3 | IC50 | = | 42000.0 | nM | 4.38 | Inhibition of PDE 3 (phosphodiesterase III) from guinea pig ventricle | 8388468 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 58000.0 | nM | 4.24 | In vitro inhibition of PDE-V isolated from porcine pulmonary artery. | 8388468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2165165 | 10.1021/jm00170a030 | Canis familiaris | 6 |
| - | 10.1016/S0960-894X(01)81217-8 | Canis familiaris | 5 |
| 8388468 | 10.1021/jm00062a011 | Phosphodiesterase 3 | 4 |
| 4009593 | 10.1021/jm00383a006 | Felis catus | 4 |
| 4009593 | 10.1021/jm00383a006 | Canis familiaris | 3 |
| 2165165 | 10.1021/jm00170a030 | Cavia porcellus | 1 |
| - | 10.1016/S0960-894X(01)81217-8 | Cavia porcellus | 1 |
| - | 10.1016/S0960-894X(01)81217-8 | Phosphodiesterase 3 | 1 |
| - | 10.1016/S0960-894X(01)81217-8 | Unchecked | 1 |
| 8388468 | 10.1021/jm00062a011 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
| 8388468 | 10.1021/jm00062a011 | Phosphodiesterase 4 | 1 |
| 3397997 | 10.1021/jm00403a018 | Felis catus | 1 |
| 3397997 | 10.1021/jm00403a018 | Canis familiaris | 1 |
| - | 10.6019/CHEMBL5441142 | Schistosoma mansoni | 1 |
Data from ChEMBL 36 via Core Engine