Compound Detail
CHEMBL6062307
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CN(C)c1nc(C(=O)N[C@@H](c2ccc(S(F)(F)(F)(F)F)cc2)C2(C)CC2)cc(=O)[nH]1
Basic Information
| ChEMBL ID | CHEMBL6062307 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKSGRFFRUWZGBA-HNNXBMFYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.4
MW (Da)
4.76
ALogP
4
HBA
2
HBD
78.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase CHEMBL3091263 | Ki | 9.55 | 9.55 | 0.3 | 1 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | Ki | 9.51 | 9.51 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase | Ki | = | 0.28 | nM | 9.55 | PDE2 Assay B: The activity of the compounds in accordance with the present inven... | - |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 0.31 | nM | 9.51 | PDE2 Assay B: The activity of the compounds in accordance with the present inven... | - |
Data from ChEMBL 36 via Core Engine