Compound Detail
CHEMBL1927096
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Basic Information
| ChEMBL ID | CHEMBL1927096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLTDRUFHRWCSNO-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
350.4
MW (Da)
0.90
ALogP
7
HBA
1
HBD
93.3
PSA (Ų)
0.36
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.79
IC50 1 meas. best 10.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 10.79 | 10.79 | 0.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | IC50 | 10.66 | 10.66 | 0.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 7.65 | 7.65 | 22.5 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 5.51 | 5.51 | 3080.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.0161 | nM | 10.79 | Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-... | 22133459 |
| 5-hydroxytryptamine receptor 2A | IC50 | = | 0.0217 | nM | 10.66 | Displacement of [3H]ketanserin from Sprague-Dawley rat brain cortex serotonin 5-... | 22133459 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 22.5 | nM | 7.65 | Displacement of [3H]mesulergine from Sprague-Dawley rat brain cortex serotonin 5... | 22133459 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 3080.0 | nM | 5.51 | Displacement of [3H]-8-OH-DPAT from Sprague-Dawley rat brain cortex serotonin 5-... | 22133459 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22133459 | 10.1016/j.ejmech.2011.11.023 | 5-hydroxytryptamine receptor 2A | 5 |
| 22133459 | 10.1016/j.ejmech.2011.11.023 | 5-hydroxytryptamine receptor 1A | 1 |
| 22133459 | 10.1016/j.ejmech.2011.11.023 | 5-hydroxytryptamine receptor 2C | 1 |
| 22133459 | 10.1016/j.ejmech.2011.11.023 | D(1A) dopamine receptor | 1 |
| 22133459 | 10.1016/j.ejmech.2011.11.023 | D(2) dopamine receptor | 1 |
| 22133459 | 10.1016/j.ejmech.2011.11.023 | Adrenergic receptor alpha-1 | 1 |
| 22133459 | 10.1016/j.ejmech.2011.11.023 | Adrenergic receptor alpha-2 | 1 |
Data from ChEMBL 36 via Core Engine