Compound Detail
CHEMBL459930
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Basic Information
| ChEMBL ID | CHEMBL459930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSGGYUGNVVGXHF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
4.67
ALogP
7
HBA
0
HBD
85.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 8.08 | 8.08 | 8.3 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.67 | 6.67 | 213.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 8.318 | nM | 8.08 | Displacement of [3H]ketanserin from human cloned 5HT2A receptor | 18783204 |
| D(2) dopamine receptor | Ki | = | 213.8 | nM | 6.67 | Displacement of [3H]spiperone from human cloned dopamine D2 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 | Unchecked | 1 |
| 18783204 | 10.1021/jm800602w | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine