Compound Detail
CHEMBL53445
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Basic Information
| ChEMBL ID | CHEMBL53445 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGJWYJSOGNAUCY-CQSZACIVSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.86
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 8.95 | 8.7867 | 1.1 | 3 |
| Dopamine receptor CHEMBL2096970 | Ki | 7.79 | 7.79 | 16.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 1.12 | nM | 8.95 | Binding affinity at rat striatal Dopamine receptor D2 using [3H]- piperone radio... | 1971309 |
| D(2) dopamine receptor | Ki | = | 1.12 | nM | 8.95 | Displacement of [3H]raclopride from dopamine D2 receptor in rat striatal membran... | 18313931 |
| D(2) dopamine receptor | Ki | = | 3.5 | nM | 8.46 | Displacement of [3H]neomonapride from dopamine D2 receptor in rat striatum | 18251489 |
| Dopamine receptor | Ki | = | 16.4 | nM | 7.79 | Agonistic activity against calf striatal Dopamine receptor using [3H]- ADTN radi... | 1971309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1971309 | 10.1021/jm00168a040 | Dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | D(1A) dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | D(2) dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | Dopamine receptors; D1 & D2 | 1 |
| 18251489 | 10.1021/jm701045j | D(1A) dopamine receptor | 1 |
| 18251489 | 10.1021/jm701045j | D(2) dopamine receptor | 1 |
| 18251489 | 10.1021/jm701045j | Unchecked | 1 |
| 18313931 | 10.1016/j.bmc.2008.02.038 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine