Compound Detail
CHEMBL3765362
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Basic Information
| ChEMBL ID | CHEMBL3765362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KTIXCJUKKFEAAE-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
1.03
ALogP
5
HBA
1
HBD
61.4
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 8.97 | 8.97 | 1.1 | 1 |
| Adrenergic receptor alpha-1 CHEMBL1907610 | Ki | 5.73 | 5.73 | 1880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 1.08 | nM | 8.97 | Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain co... | 26820556 |
| Adrenergic receptor alpha-1 | Ki | = | 1880.0 | nM | 5.73 | Displacement of [3H]prazosin from alpha1 adrenergic receptor in rat brain cortex... | 26820556 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 1A | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 2A | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | 5-hydroxytryptamine receptor 2C | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | Adrenergic receptor alpha-1 | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | Adrenergic receptor alpha-2 | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | D(1A) dopamine receptor | 1 |
| 26820556 | 10.1016/j.ejmech.2016.01.021 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine