Compound Detail
CHEMBL371753
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 | CHEMBL371753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NVAOXOUHEUIPDH-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
340.4
MW (Da)
3.02
ALogP
4
HBA
2
HBD
74.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 7.14 | 6.91 | 73.0 | 2 |
| 5-hydroxytryptamine receptor 2B CHEMBL1833 | Ki | 6.77 | 6.77 | 170.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.52 | 5.52 | 3000.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL324 | Ki | 5.24 | 5.24 | 5700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2C | Ki | = | 73.0 | nM | 7.14 | Inhibition constant against human 5-hydroxytryptamine 2C receptor [INI isoforms]... | 16061378 |
| 5-hydroxytryptamine receptor 2B | Ki | = | 170.0 | nM | 6.77 | Inhibition constant against human 5-hydroxytryptamine 2B receptor using [3H]LSD ... | 16061378 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 210.0 | nM | 6.68 | Inhibition constant against human 5-hydroxytryptamine 2C receptor [VGI isoforms]... | 16061378 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 3000.0 | nM | 5.52 | Inhibition constant against human 5-hydroxytryptamine 2A receptor using [3H]keta... | 16061378 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 5700.0 | nM | 5.24 | Inhibition constant against rat 5-hydroxytryptamine 2C receptor using [3H]mesule... | 16061378 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16061378 | 10.1016/j.bmcl.2005.06.104 | 5-hydroxytryptamine receptor 2C | 4 |
| 16061378 | 10.1016/j.bmcl.2005.06.104 | 5-hydroxytryptamine receptor 2A | 3 |
| 16061378 | 10.1016/j.bmcl.2005.06.104 | 5-hydroxytryptamine receptor 2B | 2 |
Data from ChEMBL 36 via Core Engine