Compound Detail
CHEMBL330318
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Basic Information
| ChEMBL ID | CHEMBL330318 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DIEABLOXDOWYQT-AWEZNQCLSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
455.9
MW (Da)
3.85
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.72 | 8.72 | 1.9 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.29 | 8.29 | 5.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 1.9 | nM | 8.72 | Binding affinity to Human Dopamine receptor D4 expressed in CHO cells was determ... | 8709107 |
| D(3) dopamine receptor | Ki | = | 5.1 | nM | 8.29 | Binding affinity to rat Dopamine receptor D3 expressed in CHO cells was determin... | 8709107 |
| D(2) dopamine receptor | Ki | = | 12.0 | nM | 7.92 | Binding affinity to rat Dopamine receptor D2 expressed in CHO cells was determin... | 8709107 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8709107 | 10.1021/jm9601720 | D(2) dopamine receptor | 1 |
| 8709107 | 10.1021/jm9601720 | D(3) dopamine receptor | 1 |
| 8709107 | 10.1021/jm9601720 | D(4) dopamine receptor | 1 |
| 8709107 | 10.1021/jm9601720 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine