Compound Detail
CHEMBL344432
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Basic Information
| ChEMBL ID | CHEMBL344432 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HETKYUVAGHVYTA-UHFFFAOYSA-N |
6
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
340.5
MW (Da)
3.96
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.70
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 9.64 | 9.64 | 0.2 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 9.27 | 9.27 | 0.5 | 1 |
| Alpha-1A adrenergic receptor CHEMBL229 | Ki | 9.26 | 9.26 | 0.6 | 1 |
| Alpha-1D adrenergic receptor CHEMBL223 | Ki | 7.9 | 7.9 | 12.7 | 1 |
| Alpha-1B adrenergic receptor CHEMBL232 | Ki | 7.58 | 7.58 | 26.4 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.23 | nM | 9.64 | Binding affinity on human cloned 5-hydroxytryptamine 1A receptor transfected in ... | 11728188 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 0.54 | nM | 9.27 | Binding was determined on 5-hydroxytryptamine 1A receptor in rat hippocampal mem... | 11728188 |
| Alpha-1A adrenergic receptor | Ki | = | 0.55 | nM | 9.26 | Binding affinity was determined on human cloned Alpha-1A adrenoceptor | 11728188 |
| Alpha-1D adrenergic receptor | Ki | = | 12.65 | nM | 7.9 | Binding affinity towarda alpha-1D adrenergic receptor | 11728188 |
| Alpha-1B adrenergic receptor | Ki | = | 26.4 | nM | 7.58 | Binding affinity was determined on human cloned alpha-1B adrenergic receptor | 11728188 |
| Adrenergic receptor alpha-1 | Ki | = | 83.0 | nM | 7.08 | Binding affinity towards alpha-1 adrenergic receptor in rat cortical membranes | 11728188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11728188 | 10.1021/jm010866v | 5-hydroxytryptamine receptor 1A | 4 |
| 11728188 | 10.1021/jm010866v | Unchecked | 3 |
| 11728188 | 10.1021/jm010866v | D(2) dopamine receptor | 1 |
| 11728188 | 10.1021/jm010866v | Adrenergic receptor alpha-1 | 1 |
| 11728188 | 10.1021/jm010866v | No relevant target | 1 |
| 11728188 | 10.1021/jm010866v | Alpha-1A adrenergic receptor | 1 |
| 11728188 | 10.1021/jm010866v | Alpha-1B adrenergic receptor | 1 |
| 11728188 | 10.1021/jm010866v | Alpha-1D adrenergic receptor | 1 |
Data from ChEMBL 36 via Core Engine