Compound Detail
CHEMBL332332
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Basic Information
| ChEMBL ID | CHEMBL332332 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MHKSWTAPYIFAAP-CYBMUJFWSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
237.3
MW (Da)
2.80
ALogP
2
HBA
2
HBD
32.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.24 | 8.24 | 5.7 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.96 | 5.96 | 1097.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.7 | nM | 8.24 | In vitro displacement of [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytrypt... | 8784448 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 5.7 | nM | 8.24 | Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor | 17228858 |
| D(2) dopamine receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
| D(1A) dopamine receptor | Ki | = | 1097.0 | nM | 5.96 | In vitro displacement of [3H]SCH-23390 binding to rat striatal Dopamine receptor... | 8784448 |
| D(1A) dopamine receptor | Ki | = | 1100.0 | nM | 5.96 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8784448 | 10.1021/jm960189i | Rattus norvegicus | 6 |
| 8784448 | 10.1021/jm960189i | 5-hydroxytryptamine receptor 1A | 1 |
| 8784448 | 10.1021/jm960189i | D(1A) dopamine receptor | 1 |
| 8784448 | 10.1021/jm960189i | 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