Compound Detail
CHEMBL2420895
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Basic Information
| ChEMBL ID | CHEMBL2420895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVSNQBMLUDOWHS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
360.3
MW (Da)
4.80
ALogP
2
HBA
1
HBD
22.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.21 | 8.21 | 6.2 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.91 | 6.91 | 123.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.3 | 6.3 | 502.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 6.2 | nM | 8.21 | Binding affinity to human dopamine D4 receptor by radioligand binding assay | 23920439 |
| D(3) dopamine receptor | Ki | = | 123.0 | nM | 6.91 | Binding affinity to human dopamine D3 receptor by radioligand binding assay | 23920439 |
| D(2) dopamine receptor | Ki | = | 502.0 | nM | 6.3 | 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