Compound Detail
CHEMBL44015
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Basic Information
| ChEMBL ID | CHEMBL44015 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGYUZGMBQZEWFR-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
403.4
MW (Da)
5.05
ALogP
3
HBA
1
HBD
45.2
PSA (Ų)
0.58
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 8.4 | 8.4 | 4.0 | 1 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 3.981 | nM | 8.4 | Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor expressed ... | 9572885 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 31.62 | nM | 7.5 | Binding affinity towards cloned human 5-hydroxytryptamine 2B receptor expressed ... | 9572885 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 2511.89 | nM | 5.6 | Binding affinity towards human 5-hydroxytryptamine 2A receptor expressed in HEK ... | 9572885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572885 | 10.1021/jm970741j | 5-hydroxytryptamine receptor 2A | 1 |
| 9572885 | 10.1021/jm970741j | 5-hydroxytryptamine receptor 2B | 1 |
| 9572885 | 10.1021/jm970741j | 5-hydroxytryptamine receptor 2C | 1 |
| 9572885 | 10.1021/jm970741j | Rattus norvegicus | 1 |
| 9572885 | 10.1021/jm970741j | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine