Compound Detail
CHEMBL327103
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 | CHEMBL327103 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DTEFJSMKRSVRKG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.83
ALogP
3
HBA
1
HBD
45.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B CHEMBL1898 | Ki | 7.28 | 7.28 | 52.0 | 1 |
| 5-hydroxytryptamine receptor 1D CHEMBL1983 | Ki | 7.01 | 7.01 | 98.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1B | Ki | = | 52.0 | nM | 7.28 | Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta | 8568822 |
| 5-hydroxytryptamine receptor 1D | Ki | = | 98.0 | nM | 7.01 | Binding affinity towards 5-hydroxytryptamine 1D receptor was determined in calf ... | 8568822 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1D | 1 |
| 8568822 | 10.1021/jm950498t | 5-hydroxytryptamine receptor 1B | 1 |
Data from ChEMBL 36 via Core Engine