Compound Detail
CHEMBL2420780
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Basic Information
| ChEMBL ID | CHEMBL2420780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QQOOJNNFPCENEO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
322.2
MW (Da)
3.71
ALogP
3
HBA
0
HBD
19.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.36 | 8.36 | 4.4 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.39 | 7.39 | 41.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.49 | 6.49 | 327.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 4.4 | nM | 8.36 | Binding affinity to human dopamine D4 receptor by radioligand binding assay | 23920439 |
| D(3) dopamine receptor | Ki | = | 41.0 | nM | 7.39 | Binding affinity to human dopamine D3 receptor by radioligand binding assay | 23920439 |
| D(2) dopamine receptor | Ki | = | 327.0 | nM | 6.49 | Displacement of [3H]spiperone from human dopamine D2 receptor | 23920439 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23920439 | 10.1016/j.bmcl.2013.07.033 | D(4) dopamine receptor | 2 |
| 23920439 | 10.1016/j.bmcl.2013.07.033 | D(1B) dopamine receptor | 1 |
| 23920439 | 10.1016/j.bmcl.2013.07.033 | D(3) dopamine receptor | 1 |
| 23920439 | 10.1016/j.bmcl.2013.07.033 | D(2) dopamine receptor | 1 |
| 23920439 | 10.1016/j.bmcl.2013.07.033 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine