Compound Detail
CHEMBL377697
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Basic Information
| ChEMBL ID | CHEMBL377697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKDDQOOXABRYDQ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
476.7
MW (Da)
3.44
ALogP
5
HBA
2
HBD
81.8
PSA (Ų)
0.48
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Ki 1 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 8.05 | 8.05 | 8.9 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 8.9 | nM | 8.05 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells | 16722631 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of hERG potassium channel in HEK293 cells by patch clamp assay | 16722631 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16722631 | 10.1021/jm0508641 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
| 16722631 | 10.1021/jm0508641 | 5-hydroxytryptamine receptor 1A | 1 |
| 16722631 | 10.1021/jm0508641 | Adrenergic receptor alpha-1 | 1 |
| 16722631 | 10.1021/jm0508641 | Alpha-2A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine