Compound Detail
CHEMBL5848252
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CC(C)[C@@H](NC(=O)c1cc(=O)[nH]c(N2CC[C@H](F)C2)n1)c1ccc(SC(F)(F)F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5848252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QRRQFKQGQDORKW-YVEFUNNKSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
4.20
ALogP
5
HBA
2
HBD
78.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase CHEMBL3091263 | Ki | 9.48 | 9.39 | 0.3 | 2 |
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | Ki | 9.35 | 9.35 | 0.5 | 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 | = | 0.33 | nM | 9.48 | PDE2 Assay A: The activity of the compounds in accordance with the present inven... | - |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 0.45 | nM | 9.35 | PDE2 Assay B: The activity of the compounds in accordance with the present inven... | - |
| GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase | Ki | = | 0.5 | nM | 9.3 | PDE2 Assay B: The activity of the compounds in accordance with the present inven... | - |
Data from ChEMBL 36 via Core Engine