Compound Detail
CHEMBL279646
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 | CHEMBL279646 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMVCAMBJKNURKZ-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
451.6
MW (Da)
4.09
ALogP
4
HBA
2
HBD
63.8
PSA (Ų)
0.63
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
| Rattus norvegicus CHEMBL376 | IC50 | 6.97 | 6.97 | 106.0 | 1 |
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 6.63 | 6.63 | 233.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL5450 | IC50 | 6.63 | 6.63 | 233.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | IC50 | = | 100.0 | nM | 7.0 | Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex u... | 10737747 |
| Rattus norvegicus | IC50 | = | 106.0 | nM | 6.97 | [3H]5-HT reuptake inhibition in Rat brain synaptosomes. | 10737747 |
| 5-hydroxytryptamine receptor 1D | IC50 | = | 233.0 | nM | 6.63 | Binding affinity towards 5-hydroxytryptamine 1D receptor in rat frontal cortex u... | 10737747 |
| 5-hydroxytryptamine receptor 1B | IC50 | = | 233.0 | nM | 6.63 | Binding affinity towards 5-hydroxytryptamine 1B receptor in rat frontal cortex u... | 10737747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10737747 | 10.1021/jm9811054 | 5-hydroxytryptamine receptor 1D | 1 |
| 10737747 | 10.1021/jm9811054 | 5-hydroxytryptamine receptor 1B | 1 |
| 10737747 | 10.1021/jm9811054 | 5-hydroxytryptamine receptor 1A | 1 |
| 10737747 | 10.1021/jm9811054 | Rattus norvegicus | 1 |
| 10737747 | 10.1021/jm9811054 | Oryctolagus cuniculus | 1 |
| 10737747 | 10.1021/jm9811054 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine