Compound Detail
CHEMBL50040
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Basic Information
| ChEMBL ID | CHEMBL50040 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQWQQTJETMNCGN-UHFFFAOYSA-N |
| Parent Compound | CHEMBL6565 |
| Active Moiety | CHEMBL6565 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
1.92
ALogP
5
HBA
1
HBD
55.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.34 | 5.34 | 4600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 4600.0 | nM | 5.34 | Inhibition of phosphodiesterase 4 at 1 uM cAMP | 9191951 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191951 | 10.1021/jm960827x | Phosphodiesterase 3 | 1 |
| 9191951 | 10.1021/jm960827x | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine