Compound Detail
CHEMBL337531
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Basic Information
| ChEMBL ID | CHEMBL337531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCQJWZQRHJCJSA-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
558.0
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 7 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 9.26 | 9.26 | 0.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.32 | 7.18 | 48.0 | 2 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.9 | 6.9 | 125.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.82 | 6.82 | 150.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2095200 | Ki | 6.14 | 6.14 | 730.0 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.85 | 5.85 | 1400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 0.55 | nM | 9.26 | Binding affinity for human Dopamine receptor D3 by [3H]- spiperone displacement. | 12361386 |
| D(2) dopamine receptor | Ki | = | 48.0 | nM | 7.32 | Binding affinity for human Dopamine receptor D2 (short) by [3H]- spiperone displ... | 12361386 |
| D(2) dopamine receptor | Ki | = | 91.0 | nM | 7.04 | Binding affinity for human Dopamine receptor D2 (long) by [3H]- spiperone displa... | 12361386 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 125.0 | nM | 6.9 | Displacement of [3H]- 8-OH-DPAT from porcine 5-hydroxytryptamine 1A receptor | 12361386 |
| D(4) dopamine receptor | Ki | = | 150.0 | nM | 6.82 | Binding affinity for human Dopamine receptor D4 by [3H]- spiperone displacement. | 12361386 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 730.0 | nM | 6.14 | Binding affinity for porcine 5-hydroxytryptamine 2 receptor using [3H]- ketanser... | 12361386 |
| D(1A) dopamine receptor | Ki | = | 1400.0 | nM | 5.85 | Binding affinity for porcine Dopamine receptor D1 by [3H]-SCH- 23390 displacemen... | 12361386 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361386 | 10.1021/jm025558r | D(2) dopamine receptor | 2 |
| 12361386 | 10.1021/jm025558r | D(3) dopamine receptor | 2 |
| 12361386 | 10.1021/jm025558r | Dopamine receptors; D2 & D3 | 2 |
| 12361386 | 10.1021/jm025558r | D(1A) dopamine receptor | 1 |
| 12361386 | 10.1021/jm025558r | D(4) dopamine receptor | 1 |
| 12361386 | 10.1021/jm025558r | 5-hydroxytryptamine receptor 1A | 1 |
| 12361386 | 10.1021/jm025558r | Serotonin 2 (5-HT2) receptor | 1 |
| 12361386 | 10.1021/jm025558r | Adrenergic receptor alpha-1 | 1 |
| 12361386 | 10.1021/jm025558r | Dopamine receptors; D3 & D4 | 1 |
Data from ChEMBL 36 via Core Engine