Compound Detail
CHEMBL6323
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Basic Information
| ChEMBL ID | CHEMBL6323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNQYGMOUFHXINE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
3.34
ALogP
7
HBA
1
HBD
93.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | IC50 | = | 48.98 | nM | 7.31 | Binding affinity at Alpha-1 adrenergic receptor sites on rat cerebral cortical m... | 2535878 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2535878 | 10.1021/jm00121a020 | Adrenergic receptor alpha-1 | 2 |
| 29128116 | 10.1016/j.ejmech.2017.10.026 | Ephrin type-A receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine