Compound Detail
CHEMBL290091
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Basic Information
| ChEMBL ID | CHEMBL290091 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNWAWODVOOTTKE-RDTXWAMCSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
287.4
MW (Da)
4.43
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.25 | 9.25 | 0.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.56 | nM | 9.25 | Binding affinity for 5-hydroxytryptamine 1A receptor in rat brain tissue using [... | 7530773 |
| D(2) dopamine receptor | Ki | = | 40.0 | nM | 7.4 | In vitro binding affinity towards human Dopamine receptor D2A was determined in ... | 7530773 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7530773 | 10.1021/jm00001a020 | Rattus norvegicus | 11 |
| 7530773 | 10.1021/jm00001a020 | 5-hydroxytryptamine receptor 1A | 1 |
| 7530773 | 10.1021/jm00001a020 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine