Compound Detail
CHEMBL242218
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Basic Information
| ChEMBL ID | CHEMBL242218 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUZMIWVHPWQEBK-UHFFFAOYSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
471.6
MW (Da)
3.57
ALogP
5
HBA
2
HBD
65.0
PSA (Ų)
0.41
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.74
IC50 2 meas. best 8.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.74 | 8.74 | 1.8 | 3 |
| D(3) dopamine receptor CHEMBL234 | IC50 | 8.41 | 8.41 | 3.9 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.6 | 6.6 | 249.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 5.91 | 5.91 | 1230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 1.8 | nM | 8.74 | Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 c... | 17672446 |
| D(3) dopamine receptor | Ki | = | 1.8 | nM | 8.74 | Binding Assay: Methods for performing in vitro dopamine receptor binding studies... | - |
| D(3) dopamine receptor | Ki | = | 1.8 | nM | 8.74 | Binding Assay: Methods for performing in vitro dopamine receptor binding studies... | - |
| D(3) dopamine receptor | IC50 | = | 3.9 | nM | 8.41 | Binding Assay: Methods for performing in vitro dopamine receptor binding studies... | - |
| D(3) dopamine receptor | IC50 | = | 3.9 | nM | 8.41 | Binding Assay: Methods for performing in vitro dopamine receptor binding studies... | - |
| D(2) dopamine receptor | Ki | = | 249.0 | nM | 6.6 | Displacement of [125I]IABN from human dopamine D2 receptor expressed in HEK293 c... | 17672446 |
| D(4) dopamine receptor | Ki | = | 1230.0 | nM | 5.91 | Displacement of [125I]IABN from human dopamine D4 receptor expressed in HEK293 c... | 17672446 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17672446 | 10.1021/jm0704200 | D(2) dopamine receptor | 1 |
| 17672446 | 10.1021/jm0704200 | D(3) dopamine receptor | 1 |
| 17672446 | 10.1021/jm0704200 | D(4) dopamine receptor | 1 |
| 17672446 | 10.1021/jm0704200 | Dopamine receptors; D2 & D3 | 1 |
| 17672446 | 10.1021/jm0704200 | Dopamine receptors; D3 & D4 | 1 |
Data from ChEMBL 36 via Core Engine