Compound Detail
CHEMBL50872
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 | CHEMBL50872 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LXBAEGKBCVHTGA-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
319.4
MW (Da)
3.20
ALogP
4
HBA
2
HBD
48.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Glutamate [NMDA] receptor CHEMBL2094124 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Unchecked CHEMBL612545 | Ki | 8.46 | 8.46 | 3.5 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 6.37 | 6.37 | 430.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | Ki | = | 3.5 | nM | 8.46 | Binding affinity against N-methyl-D-aspartate glutamate receptor using [3H]25-69... | 12182873 |
| Glutamate [NMDA] receptor | Ki | = | 3.5 | nM | 8.46 | Binding affinity against NMDA receptor by displacement of [3H]Ro-256981 | 12617901 |
| Unchecked | Ki | = | 3.5 | nM | 8.46 | Inhibition of [3H]25-6981 binding to N-methyl-D-aspartate glutamate receptor 2B ... | 12729659 |
| Adrenergic receptor alpha-1 | Ki | = | 430.0 | nM | 6.37 | Binding affinity towards Alpha-1 adrenergic receptor in rat brain using [3H]praz... | 12729659 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182873 | 10.1016/s0960-894x(02)00470-5 | Glutamate NMDA receptor | 1 |
| 12182873 | 10.1016/s0960-894x(02)00470-5 | Mus musculus | 1 |
| 12617901 | 10.1016/s0960-894x(03)00007-6 | Glutamate [NMDA] receptor | 1 |
| 12617901 | 10.1016/s0960-894x(03)00007-6 | Mus musculus | 1 |
| 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 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine