Compound Detail
CHEMBL42404
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Basic Information
| ChEMBL ID | CHEMBL42404 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCDIZWKTNJSATE-UHFFFAOYSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
370.5
MW (Da)
2.41
ALogP
4
HBA
0
HBD
47.1
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.73 | 7.73 | 18.6 | 3 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.11 | 7.11 | 78.5 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Adrenergic receptor alpha-1 | Ki | = | 18.6 | nM | 7.73 | Binding affinity at Alpha-1 adrenergic receptor in rat cerebral cortex membranes... | - |
| Adrenergic receptor alpha-1 | Ki | = | 18.6 | nM | 7.73 | Tested in vitro for binding affinity by measuring its ability to inhibit [3H]pra... | 9171874 |
| Adrenergic receptor alpha-1 | Ki | = | 18.6 | nM | 7.73 | Binding affinity towards alpha-1 adrenergic receptor using [3H]prazosin radiolig... | 8893838 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 78.5 | nM | 7.11 | Binding affinity at 5-hydroxytryptamine 1A receptor in rat cerebral cortex membr... | - |
| 5-hydroxytryptamine receptor 1A | Ki | = | 78.5 | nM | 7.11 | Tested in vitro for binding affinity by measuring its ability to inhibit [3H]8-O... | 9171874 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 78.5 | nM | 7.11 | Binding affinity towards rat 5-hydroxytryptamine 1A receptor using [3H]8-OH-DPAT... | 8893838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00081-9 | 5-hydroxytryptamine receptor 1A | 1 |
| - | 10.1016/0960-894X(96)00081-9 | Adrenergic receptor alpha-1 | 1 |
| 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