Compound Detail
CHEMBL4795287
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Basic Information
| ChEMBL ID | CHEMBL4795287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUPATJHWIBFKHY-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
437.5
MW (Da)
2.63
ALogP
6
HBA
0
HBD
54.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.74 | 7.74 | 18.3 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 7.59 | 7.59 | 25.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 18.3 | nM | 7.74 | Displacement of [3H](+)8-OH-DPAT from rat cerebral cortex 5HT1A receptor measure... | 32877805 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 25.9 | nM | 7.59 | Displacement of [3H]ketanserin from rat cerebral cortex 5HT2A receptor measured ... | 32877805 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32877805 | 10.1016/j.ejmech.2020.112709 | D(2) dopamine receptor | 1 |
| 32877805 | 10.1016/j.ejmech.2020.112709 | 5-hydroxytryptamine receptor 1A | 1 |
| 32877805 | 10.1016/j.ejmech.2020.112709 | 5-hydroxytryptamine receptor 2A | 1 |
Data from ChEMBL 36 via Core Engine