Compound Detail
CHEMBL1744080
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 | CHEMBL1744080 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIVCTAQSQDLCFC-BTQNPOSSSA-N |
| Parent Compound | CHEMBL26181 |
| Active Moiety | CHEMBL26181 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
273.4
MW (Da)
2.79
ALogP
4
HBA
1
HBD
41.3
PSA (Ų)
0.91
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.17 | 7.17 | 68.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.04 | 7.04 | 92.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 68.0 | nM | 7.17 | Compound was evaluated for its ability to displace [3H]raclopride from dopamine ... | 1348089 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 92.0 | nM | 7.04 | Ability to displace [3H]-DPAT from 5-hydroxytryptamine 1A receptor in homogenate... | 1348089 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1348089 | 10.1021/jm00084a013 | Rattus norvegicus | 4 |
| 1348089 | 10.1021/jm00084a013 | D(2) dopamine receptor | 1 |
| 1348089 | 10.1021/jm00084a013 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine