Compound Detail
CHEMBL253319
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Basic Information
| ChEMBL ID | CHEMBL253319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTLGJDYEVFKDLJ-CQSZACIVSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
2.77
ALogP
2
HBA
1
HBD
36.1
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.26 | 7.26 | 54.6 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3223 | Ki | 7.26 | 7.26 | 54.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.75 | 6.75 | 178.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.43 | 6.43 | 370.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.21 | 5.21 | 6100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 7 | Ki | = | 54.5 | nM | 7.26 | In vitro binding affinity towards cloned rat 5-hydroxytryptamine 7 receptor usin... | 11212112 |
| D(2) dopamine receptor | Ki | = | 54.6 | nM | 7.26 | In vitro binding affinity towards cloned human Dopamine receptor D2A using [3H]-... | 11212112 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 178.0 | nM | 6.75 | In vitro binding affinity towards cloned human 5-hydroxytryptamine 1A receptor e... | 11212112 |
| Sodium-dependent serotonin transporter | Ki | = | 340.0 | nM | 6.47 | Displacement of [3H]5-HT from rat SERT | 17228858 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 370.0 | nM | 6.43 | Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor | 17228858 |
| D(2) dopamine receptor | Ki | = | 6100.0 | nM | 5.21 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
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