Compound Detail
CHEMBL149024
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Basic Information
| ChEMBL ID | CHEMBL149024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIKPTWKWYXCBEC-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
294.1
MW (Da)
3.83
ALogP
3
HBA
1
HBD
52.3
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 10.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 10.7 | 10.7 | 0.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 10.4 | 10.4 | 0.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 9.72 | 9.72 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 9.64 | 9.64 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 0.02 | nM | 10.7 | Binding activity against cloned human 5-hydroxytryptamine 2C receptor using [125... | 9857084 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.04 | nM | 10.4 | Binding activity against cloned human 5-hydroxytryptamine 2A receptor using [125... | 9857084 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 0.19 | nM | 9.72 | Binding activity against cloned human 5-hydroxytryptamine 2B receptor using [3H]... | 9857084 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.23 | nM | 9.64 | Antagonistic activity measured for 5-hydroxytryptamine 2A receptor using [3H]-MD... | 9857084 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 0.23 | nM | 9.64 | Displacement of [3H]MDL100907 from 5HT2A receptor in Sprague-Dawley rat brain by... | 18296055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9857084 | 10.1021/jm9803525 | 5-hydroxytryptamine receptor 2A | 2 |
| 9857084 | 10.1021/jm9803525 | Rattus norvegicus | 2 |
| 18296055 | 10.1016/j.bmc.2008.02.033 | 5-hydroxytryptamine receptor 2A | 2 |
| 9857084 | 10.1021/jm9803525 | 5-hydroxytryptamine receptor 2B | 1 |
| 9857084 | 10.1021/jm9803525 | 5-hydroxytryptamine receptor 2C | 1 |
| 18296055 | 10.1016/j.bmc.2008.02.033 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine