Compound Detail
CHEMBL494701
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Basic Information
| ChEMBL ID | CHEMBL494701 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KUGRYKPJVWPSLO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
1
Known Names
Molecular Properties
431.5
MW (Da)
5.43
ALogP
4
HBA
0
HBD
50.5
PSA (Ų)
0.51
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.76 | 7.76 | 17.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 17.38 | nM | 7.76 | Displacement of [3H]ketanserin from human cloned 5HT2A receptor | 18783204 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18783204 | 10.1021/jm800602w | 5-hydroxytryptamine receptor 2A | 1 |
| 18783204 | 10.1021/jm800602w | 5-hydroxytryptamine receptor 2C | 1 |
| 18783204 | 10.1021/jm800602w | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine