Compound Detail
CHEMBL5963263
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CC(C)[C@@H](c1ccc(C(F)(F)F)cc1)n1nc(CF)c2c(=O)[nH]c(N(C)C)nc21
Basic Information
| ChEMBL ID | CHEMBL5963263 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBTNUKBIBUOCDV-HNNXBMFYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
411.4
MW (Da)
3.92
ALogP
5
HBA
1
HBD
66.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 10.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase CHEMBL2652 | Ki | 10.25 | 9.76 | 0.1 | 2 |
| Unchecked CHEMBL612545 | Ki | 10.15 | 9.675 | 0.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 0.056 | nM | 10.25 | Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc... | - |
| Unchecked | Ki | = | 0.07 | nM | 10.15 | Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc... | - |
| cGMP-dependent 3',5'-cyclic phosphodiesterase | Ki | = | 0.54 | nM | 9.27 | Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc... | - |
| Unchecked | Ki | = | 0.63 | nM | 9.2 | Lab B PDE2 assay: Performed by Lab B. The activity of the compounds in accordanc... | - |
Data from ChEMBL 36 via Core Engine