Compound Detail
CHEMBL413483
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Basic Information
| ChEMBL ID | CHEMBL413483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYYIXERJKMDZBL-FQNRMIAFSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
242.4
MW (Da)
3.54
ALogP
2
HBA
0
HBD
27.0
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 7.01 | 6.87 | 98.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.98 | 6.98 | 105.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.98 | 5.98 | 1050.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.09 | 5.09 | 8070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 98.0 | nM | 7.01 | Affinity against recombinant dopamine receptor (DA) D2 expressed in CHO-K1 cells... | 8064801 |
| D(3) dopamine receptor | Ki | = | 105.0 | nM | 6.98 | Tested for in vitro binding affinity against cloned mammalian dopamine D3 recept... | 8064801 |
| D(2) dopamine receptor | Ki | = | 187.0 | nM | 6.73 | In vitro binding affinity against cloned mammalian dopamine D2 autoreceptor, exp... | 8064801 |
| D(2) dopamine receptor | Ki | = | 1050.0 | nM | 5.98 | Affinity against striatal dopamine D2 receptors using [3H]spiperone as radioliga... | 8064801 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 8070.0 | nM | 5.09 | Tested for affinity against 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT ... | 8064801 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8064801 | 10.1021/jm00043a013 | Rattus norvegicus | 5 |
| 8064801 | 10.1021/jm00043a013 | D(2) dopamine receptor | 3 |
| 8064801 | 10.1021/jm00043a013 | D(3) dopamine receptor | 1 |
| 8064801 | 10.1021/jm00043a013 | 5-hydroxytryptamine receptor 1A | 1 |
| 7636874 | 10.1021/jm00016a015 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine