Compound Detail
CHEMBL5841838
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CC[C@@H](NC(=O)c1cc(=O)[nH]c(N2CCCC2)n1)c1ccc(SC(F)(F)F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5841838 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFWFOVOQIUGINY-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
4.00
ALogP
5
HBA
2
HBD
78.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | Ki | 9.66 | 9.66 | 0.2 | 1 |
| GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase CHEMBL3091263 | Ki | 9.25 | 9.25 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 0.22 | nM | 9.66 | PDE2 Assay A: The activity of the compounds in accordance with the present inven... | - |
| GMP-stimulated 3',5'-cyclic nucleotide phosphodiesterase | Ki | = | 0.56 | nM | 9.25 | PDE2 Assay A: The activity of the compounds in accordance with the present inven... | - |
Data from ChEMBL 36 via Core Engine