Compound Detail
CHEMBL165689
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Basic Information
| ChEMBL ID | CHEMBL165689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEEXKVNFXCLLCQ-IYARVYRRSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
367.5
MW (Da)
2.45
ALogP
7
HBA
1
HBD
70.1
PSA (Ų)
0.84
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.75 | 6.75 | 180.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.68 | 6.68 | 210.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 29.0 | nM | 7.54 | The binding affinity by measuring its ability to displace [3H]8-OH-DPAT radiolig... | 9513604 |
| D(2) dopamine receptor | Ki | = | 180.0 | nM | 6.75 | Binding affinity determined by measuring its ability to displace [3H]N-0437 radi... | 9513604 |
| D(3) dopamine receptor | Ki | = | 210.0 | nM | 6.68 | Binding affinity determined by measuring displacement of [3H]spiperone from clon... | 9513604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9513604 | 10.1021/jm9707378 | D(2) dopamine receptor | 1 |
| 9513604 | 10.1021/jm9707378 | D(3) dopamine receptor | 1 |
| 9513604 | 10.1021/jm9707378 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine