Compound Detail
CHEMBL5598097
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Basic Information
| ChEMBL ID | CHEMBL5598097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEDXCWCMWDUDDF-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
461.9
MW (Da)
3.67
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 CHEMBL3371 | Ki | 7.9 | 7.9 | 12.6 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.11 | 5.11 | 7687.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 4.97 | 4.97 | 10590.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 4.16 | 4.16 | 68610.0 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 4.08 | 4.08 | 83960.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 6 | Ki | = | 12.6 | nM | 7.9 | Displacement of [3H]-LSD from human 5-HT6 receptor extracted from HEK293 cell me... | 38936149 |
| D(2) dopamine receptor | Ki | = | 7687.0 | nM | 5.11 | Displacement of [3H]-raclopride from human D2L receptor extracted from HEK293 ce... | 38936149 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 10590.0 | nM | 4.97 | Displacement of [3H]-ketanserin from human 5-HT2A receptor extracted from CHO-K1... | 38936149 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 68610.0 | nM | 4.16 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor extracted from HEK293 ... | 38936149 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 83960.0 | nM | 4.08 | Displacement of [3H]-5-CT from human 5-HT7 receptor extracted from HEK293 cell m... | 38936149 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38936149 | 10.1016/j.ejmech.2024.116615 | 5-hydroxytryptamine receptor 6 | 3 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | Astrocyte | 3 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | C8-D1A | 2 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | 5-hydroxytryptamine receptor 1A | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | 5-hydroxytryptamine receptor 2A | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | 5-hydroxytryptamine receptor 7 | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | D(2) dopamine receptor | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | SH-SY5Y | 1 |
| 38936149 | 10.1016/j.ejmech.2024.116615 | PC-12 | 1 |
Data from ChEMBL 36 via Core Engine