Compound Detail
CHEMBL5178192
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Basic Information
| ChEMBL ID | CHEMBL5178192 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLIIYWYPTKLMOZ-ZRDIBKRKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
3.31
ALogP
3
HBA
2
HBD
57.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.79 | 5.79 | 1640.0 | 1 |
| Alpha-2A adrenergic receptor CHEMBL327 | Ki | 5.0 | 5.0 | 9920.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 1640.0 | nM | 5.79 | Displacement of [3H]DPCPX from A1AR in rat whole brain assessed as inhibition co... | 34743062 |
| Alpha-2A adrenergic receptor | Ki | = | 9920.0 | nM | 5.0 | Displacement of [3H]NECA from A2AAR in rat striata assessed as inhibition consta... | 34743062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35932905 | 10.1016/j.bmcl.2022.128921 | RAW264.7 | 1 |
| 34743062 | 10.1016/j.ejmech.2021.113964 | Adrenergic receptor alpha-1 | 1 |
| 34743062 | 10.1016/j.ejmech.2021.113964 | Alpha-2A adrenergic receptor | 1 |
| 34743062 | 10.1016/j.ejmech.2021.113964 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine