Compound Detail
CHEMBL301692
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
Basic Information
| ChEMBL ID | CHEMBL301692 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJKSRWNNPFNRAH-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.7
MW (Da)
4.12
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.89
Ki 1 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 5.9 | 5.9 | 1258.9 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Potassium voltage-gated channel subfamily A member 5 CHEMBL4306 | IC50 | 4.63 | 4.63 | 23500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 1258.93 | nM | 5.9 | Binding affinity towards benzodiazepine site in GABAA receptor | 11384234 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of human ERG expressed in HEK293 cells assessed as decrease in tail c... | - |
| Potassium voltage-gated channel subfamily A member 5 | IC50 | = | 23500.0 | nM | 4.63 | Inhibition of human Kv1.5 expressed in HEK293 cells by whole cell patch clamp me... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384234 | 10.1021/jm000557p | GABA-A receptor; anion channel | 1 |
| 18158201 | 10.1016/j.ejmech.2007.11.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine