Compound Detail
CHEMBL321760
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Cc1cn(Cc2nccn2Cc2ccccc2)c2cc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)ccc12
Basic Information
| ChEMBL ID | CHEMBL321760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BISNMZYFKZOCAT-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.4
MW (Da)
5.44
ALogP
5
HBA
1
HBD
78.8
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.38
Ki 1 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2093863 | Ki | 6.41 | 6.41 | 393.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 6.38 | 6.38 | 420.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | Ki | = | 393.0 | nM | 6.41 | Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) | 9873675 |
| Phosphodiesterase 4 | IC50 | = | 420.0 | nM | 6.38 | Inhibition of phosphodiesterase type IV (PDE4) activity | 9873675 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873675 | 10.1016/s0960-894x(98)00572-1 | Phosphodiesterase 4 | 2 |
| 9873675 | 10.1016/s0960-894x(98)00572-1 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine