Compound Detail
CHEMBL109171
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Basic Information
| ChEMBL ID | CHEMBL109171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLZXBPBMBUIBQC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
3.92
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.27 | 7.27 | 53.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 54.0 | nM | 7.27 | Compound was evaluated for their affinity against dopamine receptor D2 by displa... | 8759640 |
| D(2) dopamine receptor | Ki | = | 53.7 | nM | 7.27 | Binding affinity towards dopamine receptor D2 of rat striatal membrane was deter... | 15808487 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8759640 | 10.1021/jm950721m | D(2) dopamine receptor | 1 |
| 8759640 | 10.1021/jm950721m | Mus musculus | 1 |
| 8759640 | 10.1021/jm950721m | Rattus norvegicus | 1 |
| 15808487 | 10.1016/j.bmcl.2005.02.012 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine