Compound Detail
CHEMBL516809
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Basic Information
| ChEMBL ID | CHEMBL516809 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMIRJSPUFWFFPK-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
1
Known Names
Molecular Properties
444.5
MW (Da)
5.85
ALogP
5
HBA
0
HBD
59.5
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.16 | 8.16 | 6.9 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.92 | 7.92 | 12.0 | 1 |
| 5-hydroxytryptamine receptor 2C CHEMBL225 | Ki | 5.48 | 5.48 | 3311.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 6.918 | nM | 8.16 | Displacement of [3H]ketanserin from human cloned 5HT2A receptor | 18783204 |
| D(2) dopamine receptor | Ki | = | 12.02 | nM | 7.92 | Displacement of [3H]spiperone from human cloned dopamine D2 receptor | 18783204 |
| 5-hydroxytryptamine receptor 2C | Ki | = | 3311.31 | nM | 5.48 | Displacement of [3H]mesulergine from human cloned 5HT2C receptor | 18783204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18783204 | 10.1021/jm800602w | D(2) dopamine receptor | 1 |
| 18783204 | 10.1021/jm800602w | 5-hydroxytryptamine receptor 2A | 1 |
| 18783204 | 10.1021/jm800602w | 5-hydroxytryptamine receptor 2C | 1 |
| 18783204 | 10.1021/jm800602w | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine