Compound Detail
CHEMBL351036
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 | CHEMBL351036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AXEVTXYFZSFYFE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
465.1
MW (Da)
5.43
ALogP
3
HBA
2
HBD
34.3
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 7.44 | 7.44 | 36.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1D | Ki | = | 12.0 | nM | 7.92 | Binding affinity was evaluated at the cloned human 5-hydroxytryptamine 1D recept... | 14741277 |
| 5-hydroxytryptamine receptor 1B | Ki | = | 36.0 | nM | 7.44 | Binding affinity was evaluated at the cloned human 5-hydroxytryptamine 1B recept... | 14741277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 14741277 | 10.1016/j.bmcl.2003.11.023 | 5-hydroxytryptamine receptor 1D | 1 |
| 14741277 | 10.1016/j.bmcl.2003.11.023 | 5-hydroxytryptamine receptor 1B | 1 |
| 14741277 | 10.1016/j.bmcl.2003.11.023 | Serotonin 1 receptors; 5-HT1B & 5-HT1D | 1 |
Data from ChEMBL 36 via Core Engine