Compound Detail
CHEMBL298649
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 | CHEMBL298649 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AOIREBHOLIZUIV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
375.4
MW (Da)
3.65
ALogP
5
HBA
0
HBD
36.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL3459 | IC50 | 4.15 | 4.15 | 70794.6 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | IC50 | 4.01 | 4.01 | 97723.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | IC50 | = | 70794.58 | nM | 4.15 | Binding affinity towards 5-hydroxytryptamine 1B receptor was measured using [3H]... | 9191957 |
| 5-hydroxytryptamine receptor 1A | IC50 | = | 97723.72 | nM | 4.01 | Binding affinity against 5-hydroxytryptamine 1A receptor was measured using [3H]... | 9191957 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 1A | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 1B | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 1D | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 2A | 1 |
| 9191957 | 10.1021/jm960501o | 5-hydroxytryptamine receptor 2C | 1 |
| 9191957 | 10.1021/jm960501o | Serotonin 3 (5-HT3) receptor | 1 |
Data from ChEMBL 36 via Core Engine