Compound Detail
CHEMBL13147
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Basic Information
| ChEMBL ID | CHEMBL13147 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITVMGIFXMOEEJA-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
194.3
MW (Da)
2.33
ALogP
2
HBA
1
HBD
19.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.19 | 7.19 | 64.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.12 | 7.12 | 76.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.67 | 6.67 | 214.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.56 | 6.56 | 276.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 5.34 | 5.34 | 4611.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 64.0 | nM | 7.19 | Compound was tested for the displacement of [125I]DOI from cloned human 5-hydrox... | 10090793 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 76.0 | nM | 7.12 | Compound was tested for the displacement of [3H]-8-OH- DPAT from rat brain 5-hyd... | 10090793 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 214.0 | nM | 6.67 | Compound was tested for the displacement of [3H]5-HT from cloned human 5-hydroxy... | 10090793 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 276.0 | nM | 6.56 | Compound was tested for the displacement of [125I]DOI from cloned human 5-hydrox... | 10090793 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 4611.0 | nM | 5.34 | Displacement of [3H]MDL100907 from 5HT2A receptor in Sprague-Dawley rat brain by... | 18296055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10090793 | 10.1021/jm980692q | Rattus norvegicus | 22 |
| 10090793 | 10.1021/jm980692q | 5-hydroxytryptamine receptor 2A | 3 |
| 18296055 | 10.1016/j.bmc.2008.02.033 | 5-hydroxytryptamine receptor 2A | 2 |
| 10090793 | 10.1021/jm980692q | 5-hydroxytryptamine receptor 1A | 1 |
| 10090793 | 10.1021/jm980692q | 5-hydroxytryptamine receptor 2B | 1 |
| 10090793 | 10.1021/jm980692q | 5-hydroxytryptamine receptor 2C | 1 |
| 18296055 | 10.1016/j.bmc.2008.02.033 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine