Compound Detail
CHEMBL1940410
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Basic Information
| ChEMBL ID | CHEMBL1940410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QLMIVFXMQPUHKG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
5.15
ALogP
3
HBA
0
HBD
6.5
PSA (Ų)
0.38
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 7.05 | 7.05 | 89.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.26 | 6.26 | 544.0 | 1 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.97 | 5.97 | 1080.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL224 | Ki | 5.95 | 5.95 | 1129.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.32 | 5.32 | 4753.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 89.0 | nM | 7.05 | Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid sc... | 22245230 |
| D(3) dopamine receptor | Ki | = | 544.0 | nM | 6.26 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid ... | 22245230 |
| 5-hydroxytryptamine receptor 1A | Ki | = | 1080.0 | nM | 5.97 | Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation ... | 22245230 |
| 5-hydroxytryptamine receptor 2A | Ki | = | 1129.0 | nM | 5.95 | Displacement of [3H]DOI from human 5HT2A receptor after 1 hr by liquid scintilla... | 22245230 |
| D(2) dopamine receptor | Ki | = | 4753.0 | nM | 5.32 | 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 |
Data from ChEMBL 36 via Core Engine