Compound Detail
CHEMBL466462
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 | CHEMBL466462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CTKOQDQPYZTIFY-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
357.4
MW (Da)
1.16
ALogP
6
HBA
2
HBD
87.1
PSA (Ų)
0.73
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A CHEMBL2411 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.32 | 6.32 | 480.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 3A | Ki | = | 1.2 | nM | 8.92 | Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | 19425598 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 480.0 | nM | 6.32 | Displacement of [3H]8-OHDPAT from 5HT1A receptor in rat hippocampus | 19425598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 3A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 1A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 2A | 1 |
| 19425598 | 10.1021/jm900018b | 5-hydroxytryptamine receptor 4 | 1 |
| 19425598 | 10.1021/jm900018b | Adrenergic receptor alpha-1 | 1 |
| 19425598 | 10.1021/jm900018b | Alpha-2A adrenergic receptor | 1 |
| 19425598 | 10.1021/jm900018b | D(1A) dopamine receptor | 1 |
| 19425598 | 10.1021/jm900018b | D(2) dopamine receptor | 1 |
| 19425598 | 10.1021/jm900018b | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine