Compound Detail
CHEMBL344146
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Basic Information
| ChEMBL ID | CHEMBL344146 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYALMDJMDUJNMA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
325.5
MW (Da)
3.24
ALogP
4
HBA
0
HBD
28.6
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.64 | 7.64 | 23.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.33 | 6.33 | 467.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.12 | 6.12 | 750.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 23.0 | nM | 7.64 | Binding was determined on 5-hydroxytryptamine 1A receptor in rat hippocampal mem... | 11728188 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 23.0 | nM | 7.64 | Agonist activity at human 5-HT1A receptor expressed in human HeLa cell membranes... | 26081758 |
| Adrenergic receptor alpha-1 | Ki | = | 467.0 | nM | 6.33 | Binding affinity towards alpha-1 adrenergic receptor in rat cortical membranes | 11728188 |
| D(2) dopamine receptor | Ki | = | 750.0 | nM | 6.12 | Binding affinity towards dopamine receptor D2 in rat striatal membranes | 11728188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26081758 | 10.1016/j.bmc.2015.05.042 | 5-hydroxytryptamine receptor 1A | 6 |
| 11728188 | 10.1021/jm010866v | 5-hydroxytryptamine receptor 1A | 1 |
| 11728188 | 10.1021/jm010866v | D(2) dopamine receptor | 1 |
| 11728188 | 10.1021/jm010866v | Adrenergic receptor alpha-1 | 1 |
| 11728188 | 10.1021/jm010866v | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine