Compound Detail
CHEMBL198617
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 | CHEMBL198617 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBSZSSDQXMYZOZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
218.3
MW (Da)
2.37
ALogP
2
HBA
2
HBD
39.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.08 | 6.515 | 84.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 7.01 | 7.01 | 98.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.23 | 6.23 | 588.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 84.0 | nM | 7.08 | Inhibition constant against human 5-hydroxytryptamine 2C receptor [VGI isoforms]... | 16061378 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 98.0 | nM | 7.01 | Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]LSD ... | 16061378 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 588.0 | nM | 6.23 | Inhibition constant against human 5-hydroxytryptamine 2A receptor using [3H]keta... | 16061378 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 1114.0 | nM | 5.95 | Inhibition constant against human 5-hydroxytryptamine 2C receptor [INI isoforms]... | 16061378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16061378 | 10.1016/j.bmcl.2005.06.104 | 5-hydroxytryptamine receptor 2C | 3 |
| 16061378 | 10.1016/j.bmcl.2005.06.104 | 5-hydroxytryptamine receptor 2A | 2 |
| 16061378 | 10.1016/j.bmcl.2005.06.104 | 5-hydroxytryptamine receptor 2B | 1 |
Data from ChEMBL 36 via Core Engine