Compound Detail
CHEMBL4756417
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Basic Information
| ChEMBL ID | CHEMBL4756417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VFDLYPNEKROUJA-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
430.6
MW (Da)
3.45
ALogP
5
HBA
0
HBD
48.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 7.99 | 7.395 | 10.2 | 2 |
| 5-hydroxytryptamine receptor 2A CHEMBL322 | Ki | 6.33 | 6.33 | 468.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.7 | 5.7 | 1987.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 10.2 | nM | 7.99 | Displacement of [3H](+)8-OH-DPAT from rat cerebral cortex 5HT1A receptor measure... | 32877805 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 157.0 | nM | 6.8 | Receptor Binding Assay: 5-HT1A: (1) The prepared membrane was applied with appro... | - |
| 5-hydroxytryptamine receptor 2A | Ki | = | 468.0 | nM | 6.33 | Receptor Binding Assay: 5-HT2A:(1) The prepared membrane was applied with buffer... | - |
| D(2) dopamine receptor | Ki | = | 1987.0 | nM | 5.7 | Receptor Binding Assay: D2:Procedures(1) The prepared membrane was applied with ... | - |
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