Compound Detail
CHEMBL124419
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Basic Information
| ChEMBL ID | CHEMBL124419 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCVKKWQVIIHPLH-CYBMUJFWSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
277.3
MW (Da)
3.03
ALogP
3
HBA
0
HBD
33.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.58 | 6.58 | 265.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.55 | 6.55 | 280.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.27 | 6.27 | 540.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.94 | 5.815 | 1150.0 | 2 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 5.83 | 5.83 | 1480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 265.0 | nM | 6.58 | In vitro binding affinity towards cloned human Dopamine receptor D2A using [3H]-... | 11212112 |
| Sodium-dependent serotonin transporter | Ki | = | 280.0 | nM | 6.55 | Displacement of [3H]5-HT from rat SERT | 17228858 |
| D(2) dopamine receptor | Ki | = | 540.0 | nM | 6.27 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1150.0 | nM | 5.94 | Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor | 17228858 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 1480.0 | nM | 5.83 | In vitro binding affinity towards cloned rat 5-hydroxytryptamine 7 receptor usin... | 11212112 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 2030.0 | nM | 5.69 | In vitro binding affinity towards 5-hydroxytryptamine 1A receptor using [3H]8-OH... | 11212112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11212112 | 10.1016/s0960-894x(00)00655-7 | 5-hydroxytryptamine receptor 7 | 1 |
| 11212112 | 10.1016/s0960-894x(00)00655-7 | 5-hydroxytryptamine receptor 1A | 1 |
| 11212112 | 10.1016/s0960-894x(00)00655-7 | D(2) dopamine receptor | 1 |
| 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