Compound Detail
CHEMBL109639
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Basic Information
| ChEMBL ID | CHEMBL109639 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HQJWFUVSIOTUTJ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
2.10
ALogP
4
HBA
0
HBD
53.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.09
IC50 1 meas. best 4.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cavia porcellus CHEMBL369 | EC50 | 5.09 | 5.09 | 8200.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.31 | 4.31 | 49000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cavia porcellus | EC50 | = | 8200.0 | nM | 5.09 | Tested in vitro for tracheal relaxation | 9379444 |
| Phosphodiesterase 4 | IC50 | = | 49000.0 | nM | 4.31 | Inhibitory activity against Phosphodiesterase 4 from heart. | 9379444 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9379444 | 10.1021/jm970089s | Cavia porcellus | 2 |
| 9379444 | 10.1021/jm970089s | Phosphodiesterase 1 | 1 |
| 9379444 | 10.1021/jm970089s | Phosphodiesterase 3 | 1 |
| 9379444 | 10.1021/jm970089s | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine