Compound Detail
CHEMBL109299
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Basic Information
| ChEMBL ID | CHEMBL109299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KKSPKLQCAGWNKZ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
458.6
MW (Da)
6.75
ALogP
2
HBA
1
HBD
28.3
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.27 | 7.27 | 53.2 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.76 | 6.76 | 172.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.66 | 6.66 | 218.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 53.2 | nM | 7.27 | Binding affinity at dopamine receptor D3 | 11543687 |
| D(4) dopamine receptor | Ki | = | 172.0 | nM | 6.76 | Binding affinity at human dopamine receptor D4 | 11543687 |
| D(2) dopamine receptor | Ki | = | 218.0 | nM | 6.66 | Binding affinity at human dopamine receptor D2 | 11543687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543687 | 10.1021/jm010146o | D(3) dopamine receptor | 1 |
| 11543687 | 10.1021/jm010146o | D(2) dopamine receptor | 1 |
| 11543687 | 10.1021/jm010146o | D(4) dopamine receptor | 1 |
| 11543687 | 10.1021/jm010146o | Dopamine receptors; D2 & D3 | 1 |
| 11543687 | 10.1021/jm010146o | Dopamine receptors; D3 & D4 | 1 |
Data from ChEMBL 36 via Core Engine