Compound Detail
CHEMBL44552
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL44552 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGFDFBKKNJTMJX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
329.8
MW (Da)
4.63
ALogP
2
HBA
1
HBD
45.2
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.2 | 6.2 | 631.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 39.81 | nM | 7.4 | Binding affinity towards cloned human 5-hydroxytryptamine 2C receptor expressed ... | 9572885 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 630.96 | nM | 6.2 | 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 2C | 1 |
| 9572885 | 10.1021/jm970741j | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine