Compound Detail
CHEMBL166697
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Basic Information
| ChEMBL ID | CHEMBL166697 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSDYZWDWFNMKFW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
239.3
MW (Da)
2.53
ALogP
3
HBA
1
HBD
42.1
PSA (Ų)
0.83
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glutamate [NMDA] receptor CHEMBL2094124 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 6.14 | 6.14 | 730.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glutamate [NMDA] receptor | Ki | = | 5.0 | nM | 8.3 | Binding affinity against NMDA receptor by displacement of [3H]Ro-256981 | 12617901 |
| Adrenergic receptor alpha-1 | Ki | = | 730.0 | nM | 6.14 | Displacement of [3H]prazosin from Alpha-1 adrenergic receptor | 12617901 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 2600.0 | nM | 5.58 | Displacement of [3H]pirenzepine from M1 receptor | 12617901 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12617901 | 10.1016/s0960-894x(03)00007-6 | Glutamate [NMDA] receptor | 1 |
| 12617901 | 10.1016/s0960-894x(03)00007-6 | Adrenergic receptor alpha-1 | 1 |
| 12617901 | 10.1016/s0960-894x(03)00007-6 | Muscarinic acetylcholine receptor M1 | 1 |
| 12617901 | 10.1016/s0960-894x(03)00007-6 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine