Compound Detail
CHEMBL5842060
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CO[C@H]1CCN(c2nc(C(=O)N[C@@H](c3ccc(C(F)(F)F)cc3)C(C)(C)C)cc(=O)[nH]2)C1
Basic Information
| ChEMBL ID | CHEMBL5842060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMXFFNGAMRALRM-YJBOKZPZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
3.53
ALogP
5
HBA
2
HBD
87.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | Ki | 9.96 | 9.96 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 0.11 | nM | 9.96 | PDE2 Assay B: The activity of the compounds in accordance with the present inven... | - |
Data from ChEMBL 36 via Core Engine