Compound Detail
CHEMBL194323
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Basic Information
| ChEMBL ID | CHEMBL194323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOEIAXGHDJMROV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
3.03
ALogP
5
HBA
1
HBD
46.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor CHEMBL1867 | Ki | 8.38 | 8.38 | 4.2 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 8.28 | 8.28 | 5.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-2A adrenergic receptor | Ki | = | 4.16 | nM | 8.38 | Binding affinity towards human alpha-2A adrenergic receptor expressed in Chinese... | 16153828 |
| Alpha-1A adrenergic receptor | Ki | = | 5.25 | nM | 8.28 | Binding affinity towards alpha-1A adrenergic receptor expressed in human embryon... | 16153828 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16153828 | 10.1016/j.bmcl.2005.07.083 | Alpha-1A adrenergic receptor | 1 |
| 16153828 | 10.1016/j.bmcl.2005.07.083 | Alpha-2A adrenergic receptor | 1 |
| 16153828 | 10.1016/j.bmcl.2005.07.083 | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine