Compound Detail
CHEMBL74404
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Basic Information
| ChEMBL ID | CHEMBL74404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKOYRAGTUVPQDO-UHFFFAOYSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.4
MW (Da)
6.31
ALogP
4
HBA
0
HBD
47.9
PSA (Ų)
0.25
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.0
Ki 1 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.0 | 8.0 | 10.0 | 3 |
| Homo sapiens CHEMBL372 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 7.15 | 7.15 | 71.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 10.0 | nM | 8.0 | In vitro inhibitory concentration against phosphodiesterase 4. | 12852946 |
| Phosphodiesterase 4 | IC50 | = | 10.0 | nM | 8.0 | Inhibitory concentration against phosphodiesterase 4. | 12852946 |
| Phosphodiesterase 4 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of Phosphodiesterase 4 from human neutrophils | 11012037 |
| Homo sapiens | IC50 | = | 30.0 | nM | 7.52 | Inhibition of TNF alpha synthesis in human monocytes | 11012037 |
| Phosphodiesterase 4 | Ki | = | 71.0 | nM | 7.15 | Inhibition of rolipram binding to PDE4 from human neutrophils | 11012037 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12852946 | 10.1016/s0960-894x(03)00493-1 | Phosphodiesterase 4 | 2 |
| 11012037 | 10.1016/s0960-894x(00)00449-2 | Phosphodiesterase 4 | 2 |
| 11012037 | 10.1016/s0960-894x(00)00449-2 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine