Compound Detail
CHEMBL1940407
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Basic Information
| ChEMBL ID | CHEMBL1940407 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUXGGLCIOFCGBA-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
379.9
MW (Da)
4.86
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 6.65 | 6.65 | 222.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.61 | 6.61 | 243.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 6.21 | 6.21 | 613.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.0 | 6.0 | 998.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 35.0 | nM | 7.46 | Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid sc... | 22245230 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 222.0 | nM | 6.65 | Displacement of [3H]DOI from human 5HT2A receptor after 1 hr by liquid scintilla... | 22245230 |
| D(3) dopamine receptor | Ki | = | 243.0 | nM | 6.61 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid ... | 22245230 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 613.0 | nM | 6.21 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation ... | 22245230 |
| D(2) dopamine receptor | Ki | = | 998.0 | nM | 6.0 | Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid ... | 22245230 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22245230 | 10.1016/j.bmc.2011.12.019 | D(2) dopamine receptor | 1 |
| 22245230 | 10.1016/j.bmc.2011.12.019 | D(3) dopamine receptor | 1 |
| 22245230 | 10.1016/j.bmc.2011.12.019 | D(4) dopamine receptor | 1 |
| 22245230 | 10.1016/j.bmc.2011.12.019 | 5-hydroxytryptamine receptor 1A | 1 |
| 22245230 | 10.1016/j.bmc.2011.12.019 | 5-hydroxytryptamine receptor 2A | 1 |
| 22245230 | 10.1016/j.bmc.2011.12.019 | 5-hydroxytryptamine receptor 2C | 1 |
Data from ChEMBL 36 via Core Engine