Compound Detail
CHEMBL81921
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL81921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SXTXREBNFQTGFW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
2.75
ALogP
5
HBA
1
HBD
64.5
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 5.2 | 5.2 | 6309.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of PDE4 in the cytosol of human neutrophils | 11472205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472205 | 10.1021/jm010837k | Phosphodiesterase 4 | 1 |
Data from ChEMBL 36 via Core Engine