Compound Detail
CHEMBL38633
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 | CHEMBL38633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSHKCPACSIZILK-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
188.3
MW (Da)
2.20
ALogP
2
HBA
0
HBD
8.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.22
IC50 1 meas.
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.22 | 6.205 | 600.0 | 2 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 6.14 | 6.14 | 720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 600.0 | nM | 6.22 | Displacement of [3H]ketanserin from human 5-hydroxytryptamine 2A receptor | 11755343 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 650.0 | nM | 6.19 | Displacement of [3H]DOB from human 5-hydroxytryptamine 2A receptor | 11755343 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 720.0 | nM | 6.14 | Binding affinity towards human 5-hydroxytryptamine 2C receptor. | 11755343 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11755343 | 10.1016/s0960-894x(01)00713-2 | 5-hydroxytryptamine receptor 2A | 2 |
| 11755343 | 10.1016/s0960-894x(01)00713-2 | 5-hydroxytryptamine receptor 2C | 1 |
| 11755343 | 10.1016/s0960-894x(01)00713-2 | Serotonin 2 receptors; 5-HT2a & 5-HT2c | 1 |
| 15357994 | 10.1016/j.bmcl.2004.05.076 | 5-hydroxytryptamine receptor 6 | 1 |
| 19459681 | 10.1021/jm900036m | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine