Compound Detail
CHEMBL278806
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 | CHEMBL278806 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BEDFAHBKPZRACP-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
373.5
MW (Da)
4.15
ALogP
4
HBA
1
HBD
39.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 10.29 | 10.29 | 0.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.45 | 8.45 | 3.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 8.06 | 8.06 | 8.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.051 | nM | 10.29 | Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A recept... | 9111299 |
| D(2) dopamine receptor | Ki | = | 3.53 | nM | 8.45 | In vitro radioligand binding assay on Dopamine receptor D2 of rat striatum using... | 9111299 |
| Adrenergic receptor alpha-1 | Ki | = | 8.77 | nM | 8.06 | In vitro radioligand binding assay on adrenaline Alpha-1 adrenergic receptor of ... | 9111299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111299 | 10.1021/jm960760d | 5-hydroxytryptamine receptor 1A | 1 |
| 9111299 | 10.1021/jm960760d | Adrenergic receptor alpha-1 | 1 |
| 9111299 | 10.1021/jm960760d | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine