Compound Detail
CHEMBL212631
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Basic Information
| ChEMBL ID | CHEMBL212631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGLGNPCWSBQHAU-UHFFFAOYSA-N |
7
Targets
13
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
322.4
MW (Da)
2.67
ALogP
5
HBA
0
HBD
33.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 11 meas. best 8.55
EC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.55 | 8.55 | 2.8 | 2 |
| D(4) dopamine receptor CHEMBL219 | EC50 | 8.52 | 8.435 | 3.0 | 2 |
| Adrenergic receptor alpha-1 CHEMBL2094251 | Ki | 7.01 | 7.01 | 98.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.96 | 6.3475 | 110.0 | 4 |
| 5-hydroxytryptamine receptor 1A CHEMBL214 | Ki | 5.66 | 5.66 | 2200.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.41 | 5.41 | 3900.0 | 1 |
| 5-hydroxytryptamine receptor 2A CHEMBL2490 | Ki | 5.23 | 5.23 | 5900.0 | 1 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16789750 | 10.1021/jm060166w | D(2) dopamine receptor | 5 |
| 16789750 | 10.1021/jm060166w | D(4) dopamine receptor | 5 |
| 16789750 | 10.1021/jm060166w | Rattus norvegicus | 4 |
| 16789750 | 10.1021/jm060166w | Dopamine receptors; D2 & D4 | 1 |
| 16789750 | 10.1021/jm060166w | Adrenergic receptor alpha-1 | 1 |
| 16789750 | 10.1021/jm060166w | 5-hydroxytryptamine receptor 2A | 1 |
| 16789750 | 10.1021/jm060166w | 5-hydroxytryptamine receptor 1A | 1 |
| 16789750 | 10.1021/jm060166w | D(3) dopamine receptor | 1 |
| 16789750 | 10.1021/jm060166w | D(1A) dopamine receptor | 1 |
| 31404862 | 10.1016/j.ejmech.2019.111569 | D(4) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine