Compound Detail
CHEMBL4800484
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Basic Information
| ChEMBL ID | CHEMBL4800484 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLHMEGWPLLZUIA-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
380.5
MW (Da)
2.30
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.72
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.43 | 6.185 | 369.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 2A | Ki | = | 369.0 | nM | 6.43 | Receptor Binding Assay: 5-HT2A:(1) The prepared membrane was applied with buffer... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1156.9 | nM | 5.94 | 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