Compound Detail
CHEMBL356138
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Nc1nc2c(c(=O)n(CC3CC3)c(=O)n2CC2CC2)n1S(=O)(=O)c1cccc(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL356138 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIDZGZWKIWPZDW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
483.5
MW (Da)
2.02
ALogP
9
HBA
1
HBD
122.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphodiesterase 4 CHEMBL2094267 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
| cGMP-specific 3',5'-cyclic phosphodiesterase CHEMBL1827 | IC50 | 4.43 | 4.43 | 37000.0 | 1 |
| Phosphodiesterase 4 CHEMBL2093863 | IC50 | 4.35 | 4.35 | 45000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphodiesterase 4 | IC50 | = | 28.0 | nM | 7.55 | Inhibitory concentration on phosphodiesterase IV (PDE IV) for ability to displac... | 8120866 |
| cGMP-specific 3',5'-cyclic phosphodiesterase | IC50 | = | 37000.0 | nM | 4.43 | Concentration required to inhibit 50% activity of phosphodiesterase VA isoenzyme... | 8120866 |
| Phosphodiesterase 4 | IC50 | = | 45000.0 | nM | 4.35 | Concentration required to inhibit 50% activity of phosphodiesterase IV isoenzyme... | 8120866 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8120866 | 10.1021/jm00030a007 | Phosphodiesterase 4 | 2 |
| 8120866 | 10.1021/jm00030a007 | Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C | 1 |
| 8120866 | 10.1021/jm00030a007 | cGMP-dependent 3',5'-cyclic phosphodiesterase | 1 |
| 8120866 | 10.1021/jm00030a007 | Phosphodiesterase 3 | 1 |
| 8120866 | 10.1021/jm00030a007 | cGMP-specific 3',5'-cyclic phosphodiesterase | 1 |
Data from ChEMBL 36 via Core Engine