Compound Detail
CHEMBL46779
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 | CHEMBL46779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHEZCTJDFDQBCZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
224.3
MW (Da)
3.21
ALogP
2
HBA
0
HBD
16.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 7.6 | 7.6 | 25.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.05 | 6.05 | 900.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 25.0 | nM | 7.6 | Inhibition of [3H]25-6981 binding to N-methyl-D-aspartate glutamate receptor 2B ... | 12729659 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 900.0 | nM | 6.05 | Binding affinity towards muscarinic acetylcholine receptor M1 in rat heart using... | 12729659 |
| Adrenergic receptor alpha-1 | Ki | = | 2200.0 | nM | 5.66 | Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]praz... | 12729659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729659 | 10.1016/s0960-894x(03)00232-4 | Unchecked | 1 |
| 12729659 | 10.1016/s0960-894x(03)00232-4 | Adrenergic receptor alpha-1 | 1 |
| 12729659 | 10.1016/s0960-894x(03)00232-4 | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine