Compound Detail
CHEMBL80988
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 | CHEMBL80988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYUAWYASDDZVPP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
258.4
MW (Da)
3.87
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.35 | 4.35 | 45000.0 | 1 |
| Serotonin 2 (5-HT2) receptor CHEMBL2093870 | Ki | 4.3 | 4.3 | 50000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 45000.0 | nM | 4.35 | Displacement of [3H]5-HT from 5-hydroxytryptamine 1 receptor of rat cortical mem... | 3783595 |
| Serotonin 2 (5-HT2) receptor | Ki | = | 50000.0 | nM | 4.3 | Displacement of [3H]ketanserin from 5-hydroxytryptamine 2 receptor of rat cortic... | 3783595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3783595 | 10.1021/jm00161a038 | Unchecked | 1 |
| 3783595 | 10.1021/jm00161a038 | Serotonin 2 (5-HT2) receptor | 1 |
Data from ChEMBL 36 via Core Engine