Compound Detail
CHEMBL313170
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Basic Information
| ChEMBL ID | CHEMBL313170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPNSPIATZGICGL-RBUKOAKNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.26
ALogP
4
HBA
0
HBD
51.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 4.0 | nM | 8.4 | Inhibition of PDE4 (unknown origin) | 27890378 |
| Phosphodiesterase 4 | IC50 | = | 7.943 | nM | 8.1 | Inhibition of PDE4 in the cytosol of human neutrophils | 11472205 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472205 | 10.1021/jm010837k | Phosphodiesterase 4 | 1 |
| 27890378 | 10.1016/j.bmcl.2016.11.040 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine