Compound Detail
CHEMBL33258
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Basic Information
| ChEMBL ID | CHEMBL33258 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAFNFBFHNBQOPR-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
354.4
MW (Da)
1.07
ALogP
5
HBA
1
HBD
75.8
PSA (Ų)
0.83
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.39 | 8.39 | 4.1 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 4.1 | nM | 8.39 | Binding affinity towards 5-HT 1A receptor in rat cerebral cortex membranes using... | 12668005 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 4.1 | nM | 8.39 | In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor ... | 15801844 |
| Adrenergic receptor alpha-1 | Ki | = | 10000.0 | nM | 5.0 | Binding affinity towards Alpha-1 adrenergic receptor in rat cerebral cortex memb... | 12668005 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12668005 | 10.1016/s0960-894x(03)00160-4 | 5-hydroxytryptamine receptor 1A | 1 |
| 12668005 | 10.1016/s0960-894x(03)00160-4 | Adrenergic receptor alpha-1 | 1 |
| 15801844 | 10.1021/jm048999e | 5-hydroxytryptamine receptor 1A | 1 |
| 15801844 | 10.1021/jm048999e | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine