Compound Detail
CHEMBL316108
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 | CHEMBL316108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRDIDTZYBAPYIN-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
273.3
MW (Da)
3.57
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.31 | 8.31 | 4.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 4.9 | nM | 8.31 | Binding affinity towards 5-hydroxytryptamine 3 receptor by displacement of [3H]2... | 2213824 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2213824 | 10.1021/jm00172a006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine