Compound Detail
CHEMBL115402
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Basic Information
| ChEMBL ID | CHEMBL115402 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWVCTRVZUDUHBL-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
293.4
MW (Da)
4.23
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.43 | 6.43 | 375.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 375.0 | nM | 6.43 | In vitro displacement of [3H]8-OH-DPAT binding to rat hippocampal 5-hydroxytrypt... | 8784448 |
| D(2) dopamine receptor | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]raclopride from human Dopamine receptor D2A | 8784448 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 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 |
Data from ChEMBL 36 via Core Engine