Compound Detail
CHEMBL5947139
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
CC(C)Oc1ccc(-c2cc(C(F)(F)F)ccc2[C@H]2CCOc3cc(S(=O)(=O)Nc4ncccn4)ccc32)cn1
Basic Information
| ChEMBL ID | CHEMBL5947139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YCLDIBUXJUIEOU-JOCHJYFZSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
6.06
ALogP
7
HBA
1
HBD
103.3
PSA (Ų)
0.29
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.96 | 7.165 | 11.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 11.0 | nM | 7.96 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
| Unchecked | IC50 | = | 432.0 | nM | 6.37 | Rubidium efflux assay: HEK-293 cells overexpressing the channel of interest were... | - |
Data from ChEMBL 36 via Core Engine