Compound Detail
CHEMBL357391
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Basic Information
| ChEMBL ID | CHEMBL357391 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XJFLPPCWHZCRPU-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
355.9
MW (Da)
3.95
ALogP
5
HBA
2
HBD
52.5
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
EC50 1 meas. best 5.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.2 | 7.2 | 63.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.45 | 6.45 | 357.0 | 1 |
| Salmonella typhimurium CHEMBL351 | EC50 | 5.25 | 5.25 | 5670.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 63.0 | nM | 7.2 | In vitro binding affinity at Alpha-1 adrenergic receptor in rat cortical tissues | 12408724 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 357.0 | nM | 6.45 | In vitro binding affinity at 5-hydroxytryptamine 2A receptor in rat cortical mem... | 12408724 |
| Salmonella typhimurium | EC50 | = | 5670.0 | nM | 5.25 | Antibacterial activity against Salmonella typhimurium ATCC14028 infected in mous... | 38283231 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12408724 | 10.1021/jm0104825 | D(4) dopamine receptor | 1 |
| 12408724 | 10.1021/jm0104825 | 5-hydroxytryptamine receptor 2A | 1 |
| 12408724 | 10.1021/jm0104825 | Adrenergic receptor alpha-1 | 1 |
| 12408724 | 10.1021/jm0104825 | D(2) dopamine receptor | 1 |
| 12408724 | 10.1021/jm0104825 | Dopamine receptors; D2 & D4 | 1 |
| 12408724 | 10.1021/jm0104825 | Unchecked | 1 |
| 38283231 | 10.1039/d3md00418j | Salmonella typhimurium | 1 |
| 38283231 | 10.1039/d3md00418j | RAW264.7 | 1 |
| 38283231 | 10.1039/d3md00418j | ADMET | 1 |
Data from ChEMBL 36 via Core Engine