Compound Detail
CHEMBL310497
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 | CHEMBL310497 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZYPZBXUONFYJKI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
312.8
MW (Da)
4.04
ALogP
2
HBA
1
HBD
15.3
PSA (Ų)
0.85
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.37 | 7.37 | 43.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.06 | 7.06 | 88.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 43.0 | nM | 7.37 | Binding affinity against 5-hydroxytryptamine 2C receptor using [125I]DOI radioli... | 12824036 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 88.0 | nM | 7.06 | Binding affinity against 5-hydroxytryptamine 2A receptor using [125I]DOI radioli... | 12824036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12824036 | 10.1016/s0960-894x(03)00403-7 | 5-hydroxytryptamine receptor 2C | 1 |
| 12824036 | 10.1016/s0960-894x(03)00403-7 | 5-hydroxytryptamine receptor 2A | 1 |
| 12824036 | 10.1016/s0960-894x(03)00403-7 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
Data from ChEMBL 36 via Core Engine