Compound Detail
CHEMBL4871850
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Basic Information
| ChEMBL ID | CHEMBL4871850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEDZOJZPJMLGQC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.79
ALogP
4
HBA
0
HBD
36.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 7.94 | 7.94 | 11.4 | 1 |
| 5-hydroxytryptamine receptor 7 CHEMBL3155 | Ki | 7.92 | 7.92 | 11.9 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.38 | 7.38 | 41.4 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 7.12 | 7.12 | 75.9 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.83 | 5.83 | 1469.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 11.39 | nM | 7.94 | Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor incubated for 1 hr by ... | 33582388 |
| 5-hydroxytryptamine receptor 7 | Ki | = | 11.91 | nM | 7.92 | Displacement of [3H]-LSD from human 5-HT7 receptor incubated for 1 hr by liquid ... | 33582388 |
| D(4) dopamine receptor | Ki | = | 41.39 | nM | 7.38 | Displacement of [3H]N-methylspiperone from human dopamine D4 receptor incubated ... | 33582388 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 75.9 | nM | 7.12 | Displacement of [3H]-Ketanserin from human 5-HT2A receptor incubated for 1 hr by... | 33582388 |
| D(3) dopamine receptor | Ki | = | 1469.8 | nM | 5.83 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor incubated ... | 33582388 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33582388 | 10.1016/j.ejmech.2021.113243 | D(3) dopamine receptor | 1 |
| 33582388 | 10.1016/j.ejmech.2021.113243 | D(4) dopamine receptor | 1 |
| 33582388 | 10.1016/j.ejmech.2021.113243 | 5-hydroxytryptamine receptor 1A | 1 |
| 33582388 | 10.1016/j.ejmech.2021.113243 | 5-hydroxytryptamine receptor 2A | 1 |
| 33582388 | 10.1016/j.ejmech.2021.113243 | 5-hydroxytryptamine receptor 7 | 1 |
| 33582388 | 10.1016/j.ejmech.2021.113243 | D(2) dopamine receptor | 1 |
| 33582388 | 10.1016/j.ejmech.2021.113243 | 5-hydroxytryptamine receptor 2C | 1 |
| 33582388 | 10.1016/j.ejmech.2021.113243 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine