Compound Detail
CHEMBL316413
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Basic Information
| ChEMBL ID | CHEMBL316413 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MDGJFJLCWGQWRG-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
262.3
MW (Da)
1.81
ALogP
4
HBA
1
HBD
59.9
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.7 | 6.45 | 199.5 | 2 |
| Phosphodiesterase 3 CHEMBL2094125 | IC50 | 5.4 | 5.4 | 3981.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 199.53 | nM | 6.7 | Inhibition of PDE4 in the cytosol of human neutrophils | 11472205 |
| Phosphodiesterase 4 | IC50 | = | 630.96 | nM | 6.2 | Inhibition of PDE4 in the cytosol of human neutrophils | 11472205 |
| Phosphodiesterase 3 | IC50 | = | 3981.07 | nM | 5.4 | Inhibition of PDE3 in homogenates of human blood platelets | 11472205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472205 | 10.1021/jm010837k | Phosphodiesterase 4 | 2 |
| 11472205 | 10.1021/jm010837k | Phosphodiesterase 3 | 2 |
Data from ChEMBL 36 via Core Engine