Compound Detail
CHEMBL329961
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Basic Information
| ChEMBL ID | CHEMBL329961 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVFZIPBPUJKWHP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
304.4
MW (Da)
3.32
ALogP
5
HBA
0
HBD
52.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
| Cavia porcellus CHEMBL369 | IC50 | 5.3 | 5.3 | 4980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of Canine Tracheal Smooth Muscle PDE 4 | 1479586 |
| Cavia porcellus | IC50 | = | 4980.0 | nM | 5.3 | Schultz-Dale (SD) reaction in tracheal strip isolated from passively sensitized ... | 1479586 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1495017 | 10.1021/jm00093a020 | Rattus norvegicus | 4 |
| 1495017 | 10.1021/jm00093a020 | Mus musculus | 1 |
| 1479586 | 10.1021/jm00104a013 | Cavia porcellus | 1 |
| 1479586 | 10.1021/jm00104a013 | Mus musculus | 1 |
| 1479586 | 10.1021/jm00104a013 | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine