Compound Detail
CHEMBL3764666
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Basic Information
| ChEMBL ID | CHEMBL3764666 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WDNDQOZENAFNKK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
324.4
MW (Da)
2.02
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.53 | 7.53 | 29.8 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.25 | 7.25 | 56.7 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.95 | 6.95 | 112.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 29.8 | nM | 7.53 | Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain ... | 26820556 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 56.7 | nM | 7.25 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain co... | 26820556 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 112.0 | nM | 6.95 | Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain c... | 26820556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 1A | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 2A | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine