Compound Detail
CHEMBL3764080
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Basic Information
| ChEMBL ID | CHEMBL3764080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AFEFYNVGNSQAFG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
368.4
MW (Da)
1.36
ALogP
6
HBA
1
HBD
66.9
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.1 | 9.1 | 0.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.44 | 7.44 | 36.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.793 | nM | 9.1 | Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain c... | 26820556 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 36.2 | nM | 7.44 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain co... | 26820556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 2A | 3 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 1A | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine