Compound Detail
CHEMBL61377
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Basic Information
| ChEMBL ID | CHEMBL61377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOWGXLROCIXGGB-QGZVFWFLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
323.4
MW (Da)
4.24
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.62 | 6.62 | 240.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.11 | 6.11 | 770.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 240.0 | nM | 6.62 | Binding affinity of compound against 5-hydroxytryptamine 1A receptor binding sit... | 2569041 |
| D(2) dopamine receptor | Ki | = | 770.0 | nM | 6.11 | Binding affinity of compound against Dopamine receptor D2 binding site using rad... | 2569041 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2569041 | 10.1021/jm00128a044 | Felis catus | 2 |
| 2569041 | 10.1021/jm00128a044 | Rattus norvegicus | 1 |
| 2569041 | 10.1021/jm00128a044 | 5-hydroxytryptamine receptor 1A | 1 |
| 2569041 | 10.1021/jm00128a044 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine