Compound Detail
CHEMBL99846
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Basic Information
| ChEMBL ID | CHEMBL99846 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QTMQYHDNFFQCRI-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
219.3
MW (Da)
1.45
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.54 | 7.54 | 29.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.7 | 5.7 | 2010.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 29.0 | nM | 7.54 | Binding affinity towards rat hippocampal 5-hydroxytryptamine 1A receptor using [... | 8709129 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2010.0 | nM | 5.7 | Binding affinity towards rat cortical 5-hydroxytryptamine 2A receptor using [3H]... | 8709129 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2010.0 | nM | 5.7 | Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain b... | 18296055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709129 | 10.1021/jm960199j | Rattus norvegicus | 1 |
| 8709129 | 10.1021/jm960199j | 5-hydroxytryptamine receptor 2A | 1 |
| 8709129 | 10.1021/jm960199j | 5-hydroxytryptamine receptor 1A | 1 |
| 18296055 | 10.1016/j.bmc.2008.02.033 | No relevant target | 1 |
| 18296055 | 10.1016/j.bmc.2008.02.033 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine