Compound Detail
CHEMBL69717
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Basic Information
| ChEMBL ID | CHEMBL69717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SGVBRIHFEULKBC-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
432.4
MW (Da)
4.19
ALogP
4
HBA
0
HBD
43.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.39 | 8.39 | 4.1 | 1 |
| D(3) dopamine receptor CHEMBL3138 | Ki | 8.32 | 8.32 | 4.8 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.99 | 6.99 | 102.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.92 | 6.92 | 120.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.43 | 6.43 | 368.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 4.1 | nM | 8.39 | Binding affinity at dopamine receptor D3 | 11543687 |
| D(3) dopamine receptor | Ki | = | 4.8 | nM | 8.32 | Binding affinity towards rat Dopamine receptor D3 in Sf9 cells expressing in rec... | 12798330 |
| D(2) dopamine receptor | Ki | = | 102.0 | nM | 6.99 | Binding affinity towards rat Dopamine receptor D2 in Sf9 cells expressing in rec... | 12798330 |
| D(2) dopamine receptor | Ki | = | 120.0 | nM | 6.92 | Binding affinity at human dopamine receptor D2 | 11543687 |
| D(4) dopamine receptor | Ki | = | 368.0 | nM | 6.43 | Binding affinity at human dopamine receptor D4 | 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 |
| 12798330 | 10.1016/s0960-894x(03)00389-5 | D(3) dopamine receptor | 1 |
| 12798330 | 10.1016/s0960-894x(03)00389-5 | D(2) dopamine receptor | 1 |
| 12798330 | 10.1016/s0960-894x(03)00389-5 | Dopamine receptor D2 and D3 | 1 |
| 12798330 | 10.1016/s0960-894x(03)00389-5 | No relevant target | 1 |
| 30288220 | 10.1039/C8MD00237A | D(2) dopamine receptor | 1 |
| 30288220 | 10.1039/C8MD00237A | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine