Compound Detail
CHEMBL283968
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Basic Information
| ChEMBL ID | CHEMBL283968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CEIJFEGBUDEYSX-OQSMONGASA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
383.5
MW (Da)
1.41
ALogP
6
HBA
0
HBD
69.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.67 | 7.635 | 21.5 | 2 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.9 | 5.9 | 1260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 21.5 | nM | 7.67 | Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A recept... | 9111299 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 25.0 | nM | 7.6 | Displacement of [3H]8-OH-DPAT from rat hippocampal 5-hydroxytryptamine 1A recept... | 9111299 |
| Adrenergic receptor alpha-1 | Ki | = | 1260.0 | nM | 5.9 | In vitro radioligand binding assay on adrenaline Alpha-1 adrenergic receptor of ... | 9111299 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9111299 | 10.1021/jm960760d | 5-hydroxytryptamine receptor 1A | 2 |
| 9111299 | 10.1021/jm960760d | Adrenergic receptor alpha-1 | 1 |
Data from ChEMBL 36 via Core Engine