Compound Detail
CHEMBL119593
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Basic Information
| ChEMBL ID | CHEMBL119593 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OJGAXSYOOYSPGN-QGZVFWFLSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.23
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.92 | 7.915 | 12.0 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.6 | 6.6 | 249.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.6 | 6.6 | 250.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.0 | nM | 7.92 | Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor | 17228858 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 12.3 | nM | 7.91 | In vitro affinity at 5-hydroxytryptamine 1A receptor of rat hippocampus by [3H]8... | 8784447 |
| D(2) dopamine receptor | Ki | = | 249.0 | nM | 6.6 | In vitro affinity at human cloned Dopamine receptor D2A by [3H]-raclopride displ... | 8784447 |
| D(2) dopamine receptor | Ki | = | 250.0 | nM | 6.6 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
| D(1A) dopamine receptor | Ki | = | 2000.0 | nM | 5.7 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784447 | 10.1021/jm960188q | Rattus norvegicus | 6 |
| 8784447 | 10.1021/jm960188q | 5-hydroxytryptamine receptor 1A | 1 |
| 8784447 | 10.1021/jm960188q | D(1A) dopamine receptor | 1 |
| 8784447 | 10.1021/jm960188q | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine