Compound Detail
CHEMBL73640
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Basic Information
| ChEMBL ID | CHEMBL73640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCNKVJUYQNQLPA-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
406.3
MW (Da)
4.10
ALogP
6
HBA
0
HBD
66.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Ki 1 meas. best 6.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.82 | 6.82 | 153.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 6.54 | 6.54 | 286.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 153.0 | nM | 6.82 | Inhibition of Phosphodiesterase 4 from human neutrophils | 11012037 |
| Phosphodiesterase 4 | Ki | = | 286.0 | nM | 6.54 | Inhibition of rolipram binding to PDE4 from human neutrophils | 11012037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11012037 | 10.1016/s0960-894x(00)00449-2 | Phosphodiesterase 4 | 2 |
Data from ChEMBL 36 via Core Engine