Compound Detail
CHEMBL4166644
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Basic Information
| ChEMBL ID | CHEMBL4166644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CVHLPEDAZUPDGI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
3.70
ALogP
8
HBA
1
HBD
103.0
PSA (Ų)
0.38
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor CHEMBL319 | IC50 | 8.37 | 8.37 | 4.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-1A adrenergic receptor | IC50 | = | 4.28 | nM | 8.37 | Displacement of [3H]-prazosin from rat alpha1A adrenergic receptor after 60 mins... | 29128116 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29128116 | 10.1016/j.ejmech.2017.10.026 | Ephrin type-A receptor 2 | 1 |
| 29128116 | 10.1016/j.ejmech.2017.10.026 | MDA-MB-231 | 1 |
| 29128116 | 10.1016/j.ejmech.2017.10.026 | Alpha-1A adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine