Compound Detail
CHEMBL267562
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Basic Information
| ChEMBL ID | CHEMBL267562 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCXZEVAISDJVIG-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
488.4
MW (Da)
7.57
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.56 | 6.56 | 277.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.46 | 6.46 | 349.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.41 | 6.41 | 392.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.2 | 6.2 | 625.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 5.41 | 5.41 | 3880.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 277.0 | nM | 6.56 | Binding affinity at dopamine receptor D3 | 11543687 |
| D(4) dopamine receptor | Ki | = | 349.0 | nM | 6.46 | Binding affinity at human dopamine receptor D4 | 11543687 |
| Sodium-dependent dopamine transporter | Ki | = | 392.0 | nM | 6.41 | Displacement of [3H]WIN-35428 from the dopamine transporter in rat caudate putam... | 10737741 |
| D(2) dopamine receptor | Ki | = | 625.0 | nM | 6.2 | Binding affinity at human dopamine receptor D2 | 11543687 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 3880.0 | nM | 5.41 | Binding affinity at Muscarinic acetylcholine receptor M1 in Rat brain homogenate... | 10737741 |
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 |
| 10737741 | 10.1021/jm990265s | Sodium-dependent dopamine transporter | 1 |
| 10737741 | 10.1021/jm990265s | Muscarinic acetylcholine receptor M1 | 1 |
Data from ChEMBL 36 via Core Engine