Compound Detail
CHEMBL442783
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 | CHEMBL442783 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVRKUKUWBBIODW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
3.27
ALogP
3
HBA
1
HBD
45.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 4.97 | 4.97 | 10700.0 | 1 |
| Serotonin 1 (5-HT1) receptor CHEMBL2095159 | Ki | 4.92 | 4.92 | 12000.0 | 1 |
| Dopamine receptor CHEMBL2093868 | Ki | 4.75 | 4.425 | 18000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 10700.0 | nM | 4.97 | Displacement of [3H]5-HT radioligand binding at the serotonin 1 and 2 binding si... | 6134835 |
| Serotonin 1 (5-HT1) receptor | Ki | = | 12000.0 | nM | 4.92 | Displacement of [3H]LSD radioligand binding at the serotonin-1 binding site of r... | 6134835 |
| Dopamine receptor | Ki | = | 18000.0 | nM | 4.75 | Displacement of [3H]- apomorphine radioligand binding at the dopamine binding si... | 6134835 |
| Dopamine receptor | Ki | = | 80000.0 | nM | 4.1 | Displacement of [3H]- spiperone radioligand binding at the dopamine binding site... | 6134835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6134835 | 10.1021/jm00361a008 | Dopamine receptor | 2 |
| 6134835 | 10.1021/jm00361a008 | Alpha-1A adrenergic receptor | 1 |
| 6134835 | 10.1021/jm00361a008 | Alpha-2A adrenergic receptor | 1 |
| 6134835 | 10.1021/jm00361a008 | Serotonin 1 (5-HT1) receptor | 1 |
| 6134835 | 10.1021/jm00361a008 | Unchecked | 1 |
| 6134835 | 10.1021/jm00361a008 | Muscarinic acetylcholine receptor | 1 |
Data from ChEMBL 36 via Core Engine