Compound Detail
CHEMBL62777
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Basic Information
| ChEMBL ID | CHEMBL62777 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNMXVEWINKAJLK-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.68
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.74 | 7.4175 | 18.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 18.4 | nM | 7.74 | Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A recept... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 30.8 | nM | 7.51 | Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A recept... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 46.6 | nM | 7.33 | The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A r... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 81.1 | nM | 7.09 | The compound was evaluated for binding affinity against 5-hydroxytryptamine 1A r... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81009-X | 5-hydroxytryptamine receptor 1A | 4 |
| - | 10.1016/S0960-894X(01)81009-X | 5-hydroxytryptamine receptor 1B | 1 |
Data from ChEMBL 36 via Core Engine