Compound Detail
CHEMBL321758
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Basic Information
| ChEMBL ID | CHEMBL321758 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEMSVZNTSXPFJA-BEFAXECRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
327.4
MW (Da)
2.80
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate NMDA receptor CHEMBL1907608 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 5.07 | 5.07 | 8450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate NMDA receptor | IC50 | = | 11.0 | nM | 7.96 | In vitro inhibition of glutamate induced neuronal death in primary cultures of r... | 7636876 |
| Adrenergic receptor alpha-1 | IC50 | = | 8450.0 | nM | 5.07 | In vitro binding affinity against Alpha-1 adrenergic receptor using [3H]prazosin... | 7636876 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636876 | 10.1021/jm00016a017 | Unchecked | 2 |
| - | 10.6019/CHEMBL3301361 | ADMET | 2 |
| 7636876 | 10.1021/jm00016a017 | Glutamate NMDA receptor | 1 |
| 7636876 | 10.1021/jm00016a017 | Adrenergic receptor alpha-1 | 1 |
| 7636876 | 10.1021/jm00016a017 | Rattus norvegicus | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine