Compound Detail
CHEMBL2420894
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Basic Information
| ChEMBL ID | CHEMBL2420894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PFALMGBZVKYODL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
3.89
ALogP
3
HBA
1
HBD
31.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 10.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 10.52 | 10.52 | 0.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 6.99 | 6.99 | 103.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.33 | 6.33 | 473.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 0.03 | nM | 10.52 | Binding affinity to human dopamine D4 receptor by radioligand binding assay | 23920439 |
| D(3) dopamine receptor | Ki | = | 103.0 | nM | 6.99 | Binding affinity to human dopamine D3 receptor by radioligand binding assay | 23920439 |
| D(2) dopamine receptor | Ki | = | 473.0 | nM | 6.33 | 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