Compound Detail
CHEMBL108637
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Basic Information
| ChEMBL ID | CHEMBL108637 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPLFOTCUGHQPTL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
411.6
MW (Da)
4.20
ALogP
3
HBA
1
HBD
35.6
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 6.17 | 6.17 | 679.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.08 | 6.08 | 825.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.84 | 5.84 | 1460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 679.0 | nM | 6.17 | Binding affinity at human dopamine receptor D4 | 11543687 |
| D(2) dopamine receptor | Ki | = | 825.0 | nM | 6.08 | Binding affinity at human dopamine receptor D2 | 11543687 |
| D(3) dopamine receptor | Ki | = | 1460.0 | nM | 5.84 | Binding affinity at dopamine receptor D3 | 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