Compound Detail
CHEMBL138289
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Basic Information
| ChEMBL ID | CHEMBL138289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COSIKLPCGWBEMS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
5.61
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.57
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.49 | 6.49 | 327.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.01 | 6.01 | 986.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 15.0 | nM | 7.82 | Binding was determined on 5-hydroxytryptamine 1A receptor in rat hippocampal mem... | 11728188 |
| D(2) dopamine receptor | Ki | = | 327.0 | nM | 6.49 | Binding affinity towards dopamine receptor D2 in rat striatal membranes | 11728188 |
| Adrenergic receptor alpha-1 | Ki | = | 986.0 | nM | 6.01 | Binding affinity towards alpha-1 adrenergic receptor in rat cortical membranes | 11728188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728188 | 10.1021/jm010866v | 5-hydroxytryptamine receptor 1A | 1 |
| 11728188 | 10.1021/jm010866v | D(2) dopamine receptor | 1 |
| 11728188 | 10.1021/jm010866v | Adrenergic receptor alpha-1 | 1 |
| 11728188 | 10.1021/jm010866v | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine