Compound Detail
CHEMBL55079
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Basic Information
| ChEMBL ID | CHEMBL55079 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKXYELGYGCHEOC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
429.3
MW (Da)
5.79
ALogP
4
HBA
1
HBD
67.3
PSA (Ų)
0.57
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.2 | 7.2 | 63.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 1.0 | nM | 9.0 | Binding affinity towards human cloned 5-hydroxytryptamine 2C receptor of HEK293 ... | 10969986 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 39.81 | nM | 7.4 | Binding affinity towards human cloned 5-HT2B receptor of HEK293 cells by displac... | 10969986 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 63.1 | nM | 7.2 | Binding affinity towards human cloned 5-hydroxytryptamine 2A receptor of HEK293 ... | 10969986 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10969986 | 10.1016/s0960-894x(00)00364-4 | 5-hydroxytryptamine receptor 2C | 1 |
| 10969986 | 10.1016/s0960-894x(00)00364-4 | 5-hydroxytryptamine receptor 2A | 1 |
| 10969986 | 10.1016/s0960-894x(00)00364-4 | 5-hydroxytryptamine receptor 2B | 1 |
| 10969986 | 10.1016/s0960-894x(00)00364-4 | Rattus norvegicus | 1 |
| 10969986 | 10.1016/s0960-894x(00)00364-4 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 10969986 | 10.1016/s0960-894x(00)00364-4 | Serotonin receptor (2b and 2c) | 1 |
Data from ChEMBL 36 via Core Engine