Compound Detail
CHEMBL345917
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Basic Information
| ChEMBL ID | CHEMBL345917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QDBTVMABMFSDIU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
405.4
MW (Da)
2.77
ALogP
7
HBA
0
HBD
83.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 8.49 | 7.745 | 3.2 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.05 | 6.05 | 890.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 3.2 | nM | 8.49 | Displacement of [3H]rolipram binding to Phosphodiesterase 4 in rat brain | 1995886 |
| Phosphodiesterase 4 | IC50 | = | 100.0 | nM | 7.0 | Inhibition of phosphodiesterase 4 from rat brain cortex | 1995886 |
| Unchecked | IC50 | = | 890.0 | nM | 6.05 | Inhibition of phosphodiesterase 4 from guinea pig lung | 1995886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1995886 | 10.1021/jm00106a024 | Phosphodiesterase 4 | 2 |
| 1995886 | 10.1021/jm00106a024 | Mus musculus | 2 |
| 1995886 | 10.1021/jm00106a024 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine