Compound Detail
CHEMBL3289540
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Basic Information
| ChEMBL ID | CHEMBL3289540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NABVWODTBYCLMT-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3305332 |
| Active Moiety | CHEMBL3305332 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
179.2
MW (Da)
1.39
ALogP
2
HBA
3
HBD
71.1
PSA (Ų)
0.48
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 6.85 | 6.85 | 141.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 141.25 | nM | 6.85 | Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal corte... | 24908653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24908653 | 10.1016/j.ejmech.2014.05.057 | Alpha-2A adrenergic receptor | 3 |
Data from ChEMBL 36 via Core Engine