Compound Detail
CHEMBL46377
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Basic Information
| ChEMBL ID | CHEMBL46377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UINIZMWHKSTUGR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
387.4
MW (Da)
1.53
ALogP
6
HBA
0
HBD
90.2
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.12 | 5.12 | 7533.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 7533.0 | nM | 5.12 | Tested in vitro for binding affinity by measuring its ability to inhibit [3H]pra... | 9171874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9171874 | 10.1021/jm960744g | 5-hydroxytryptamine receptor 1A | 1 |
| 9171874 | 10.1021/jm960744g | Adrenergic receptor alpha-1 | 1 |
| 8893838 | 10.1021/jm960416g | 5-hydroxytryptamine receptor 1A | 1 |
| 8893838 | 10.1021/jm960416g | Adrenergic receptor alpha-1 | 1 |
| 8893838 | 10.1021/jm960416g | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine