Compound Detail
CHEMBL5797600
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
COc1ccc(F)c(C(=O)N2C3CCC2CN(Cc2c(-c4ccc(Cl)cc4)nc4ncccn24)CC3)n1
Basic Information
| ChEMBL ID | CHEMBL5797600 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMPXYJOLXYHOKB-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
4.47
ALogP
7
HBA
0
HBD
75.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Potassium channel subfamily K member 9 CHEMBL2321614 | IC50 | 8.85 | 8.31 | 1.4 | 2 |
| Potassium channel subfamily K member 3 CHEMBL2321613 | IC50 | 7.52 | 6.955 | 30.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Potassium channel subfamily K member 9 | IC50 | = | 1.4 | nM | 8.85 | Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... | - |
| Potassium channel subfamily K member 9 | IC50 | = | 17.0 | nM | 7.77 | Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... | - |
| Potassium channel subfamily K member 3 | IC50 | = | 30.0 | nM | 7.52 | Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... | - |
| Potassium channel subfamily K member 3 | IC50 | = | 410.0 | nM | 6.39 | Inhibition of Recombinant TASK-1 and TASK-3 In Vitro: The investigations on the ... | - |
Data from ChEMBL 36 via Core Engine