Compound Detail
CHEMBL403844
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Basic Information
| ChEMBL ID | CHEMBL403844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AHBOSRZKKHTKEU-LJQANCHMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.52
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 8.15 | 8.15 | 7.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 7.0 | nM | 8.15 | Displacement of [3H]5-HT from rat SERT | 17228858 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 41.0 | nM | 7.39 | Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor | 17228858 |
| D(2) dopamine receptor | Ki | = | 83.0 | nM | 7.08 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | 5-hydroxytryptamine receptor 1A | 1 |
| 17228858 | 10.1021/jm060959i | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine