Compound Detail
CHEMBL420289
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Basic Information
| ChEMBL ID | CHEMBL420289 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBDGVYISKMAKJX-LAUBAEHRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
355.5
MW (Da)
3.27
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 8.89 | 8.89 | 1.3 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 6.86 | 6.86 | 137.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 1.3 | nM | 8.89 | In vitro inhibition of glutamate induced neuronal death in primary cultures of r... | 7636876 |
| Adrenergic receptor alpha-1 | IC50 | = | 137.0 | nM | 6.86 | In vitro binding affinity against Alpha-1 adrenergic receptor using [3H]prazosin... | 7636876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636876 | 10.1021/jm00016a017 | Glutamate NMDA receptor | 1 |
| 7636876 | 10.1021/jm00016a017 | Adrenergic receptor alpha-1 | 1 |
| 7636876 | 10.1021/jm00016a017 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine