Compound Detail
CHEMBL3884545
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Basic Information
| ChEMBL ID | CHEMBL3884545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WFPKZCSWKHZBMW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
515.5
MW (Da)
5.35
ALogP
7
HBA
0
HBD
50.6
PSA (Ų)
0.31
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.09 | 7.09 | 81.2 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.19 | 6.19 | 648.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.01 | 6.01 | 984.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 81.2 | nM | 7.09 | Displacement of [3H] ketanserin from 5-HT2A receptor in Sprague-Dawley rat cereb... | 27639363 |
| D(2) dopamine receptor | Ki | = | 648.0 | nM | 6.19 | Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat st... | 27639363 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 984.0 | nM | 6.01 | Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat cerebra... | 27639363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27639363 | 10.1016/j.ejmech.2016.09.008 | D(2) dopamine receptor | 1 |
| 27639363 | 10.1016/j.ejmech.2016.09.008 | 5-hydroxytryptamine receptor 1A | 1 |
| 27639363 | 10.1016/j.ejmech.2016.09.008 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine