Compound Detail
CHEMBL520573
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Basic Information
| ChEMBL ID | CHEMBL520573 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGQXLURNIMYBEA-MRXNPFEDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
295.4
MW (Da)
3.54
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A CHEMBL273 | Ki | 6.37 | 6.37 | 432.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.19 | 6.19 | 641.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.43 | 5.43 | 3680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | Ki | = | 432.0 | nM | 6.37 | Displacement of [3H]8-OH-DPAT from Serotonin 5-HT1A receptor in rat corpus stria... | 18585036 |
| D(2) dopamine receptor | Ki | = | 641.0 | nM | 6.19 | Displacement of [3H]neomonapride from dopamine D2 receptor in rat corpus striatu... | 18585036 |
| D(1A) dopamine receptor | Ki | = | 3680.0 | nM | 5.43 | Displacement of [3H]SCH23390 from dopamine D1 receptor in rat corpus striatum | 18585036 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18585036 | 10.1016/j.bmcl.2008.06.016 | D(1A) dopamine receptor | 1 |
| 18585036 | 10.1016/j.bmcl.2008.06.016 | D(2) dopamine receptor | 1 |
| 18585036 | 10.1016/j.bmcl.2008.06.016 | Unchecked | 1 |
| 18585036 | 10.1016/j.bmcl.2008.06.016 | 5-hydroxytryptamine receptor 1A | 1 |
Data from ChEMBL 36 via Core Engine