Compound Detail
CHEMBL2298812
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Basic Information
| ChEMBL ID | CHEMBL2298812 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZVPRVTLQVCJGOP-UHFFFAOYSA-O |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
356.4
MW (Da)
3.19
ALogP
1
HBA
1
HBD
36.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 9.29 | 8.72 | 0.5 | 3 |
| D(4) dopamine receptor CHEMBL219 | Ki | 8.54 | 8.54 | 2.9 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.83 | 7.83 | 14.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 0.51 | nM | 9.29 | Displacement of [3H]quinpirole from high affinity agonist binding site of D2 rec... | - |
| D(4) dopamine receptor | Ki | = | 2.9 | nM | 8.54 | Binding affinity to Homo sapiens (human) dopamine D4.4 receptor | - |
| D(2) dopamine receptor | Ki | = | 3.3 | nM | 8.48 | Displacement of [3H]spiperone from low affinity antagonist binding site of D2 re... | - |
| D(2) dopamine receptor | Ki | = | 4.1 | nM | 8.39 | Binding affinity to Homo sapiens (human) dopamine D2S receptor | - |
| D(3) dopamine receptor | Ki | = | 14.7 | nM | 7.83 | Binding affinity to Homo sapiens (human) dopamine D3 receptor | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-012-0055-5 | D(2) dopamine receptor | 3 |
| - | 10.1007/s00044-012-0055-5 | D(3) dopamine receptor | 1 |
| - | 10.1007/s00044-012-0055-5 | Unchecked | 1 |
| - | 10.1007/s00044-012-0055-5 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine