Compound Detail
CHEMBL106622
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Basic Information
| ChEMBL ID | CHEMBL106622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVIUJNLDORXPPC-OAHLLOKOSA-N |
3
Targets
7
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
313.4
MW (Da)
3.77
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.15
Ki 3 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | IC50 | 10.15 | 10.15 | 0.1 | 2 |
| D(2) dopamine receptor CHEMBL339 | Ki | 8.57 | 7.16 | 2.7 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.42 | 8.42 | 3.8 | 1 |
| D(1A) dopamine receptor CHEMBL265 | IC50 | 5.89 | 5.89 | 1300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | IC50 | = | 0.071 | nM | 10.15 | Binding affinity against Dopamine receptor D2 from rat brain corpus striatum mem... | 2147956 |
| D(2) dopamine receptor | IC50 | = | 0.071 | nM | 10.15 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
| D(2) dopamine receptor | Ki | = | 2.7 | nM | 8.57 | Displacement of [3H]domperidone from dopamine D2 receptor high binding site in S... | 21666830 |
| D(3) dopamine receptor | Ki | = | 3.8 | nM | 8.42 | Displacement of [3H]domperidone from human cloned dopamine D3 receptor high bind... | 21666830 |
| D(1A) dopamine receptor | IC50 | = | 1300.0 | nM | 5.89 | Binding affinity against Dopamine receptor D1 from rat brain corpus striatum mem... | 2147956 |
| D(1A) dopamine receptor | IC50 | = | 1300.0 | nM | 5.89 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17228858 |
| D(2) dopamine receptor | Ki | = | 1800.0 | nM | 5.75 | Displacement of [3H]SCH23390 from dopamine D2 receptor low binding site in Sprag... | 21666830 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21666830 | 10.1021/ml1001689 | D(2) dopamine receptor | 2 |
| 21666830 | 10.1021/ml1001689 | D(3) dopamine receptor | 2 |
| 21666830 | 10.1021/ml1001689 | D(1A) dopamine receptor | 2 |
| 2147956 | 10.1021/jm00174a002 | D(1A) dopamine receptor | 1 |
| 2147956 | 10.1021/jm00174a002 | D(2) dopamine receptor | 1 |
| 2147956 | 10.1021/jm00174a002 | Dopamine D1 and D2 receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine