Compound Detail
CHEMBL106047
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Basic Information
| ChEMBL ID | CHEMBL106047 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SMAYDEMZELAUEB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.67
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.44 | 6.44 | 366.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.41 | 5.41 | 3940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 366.0 | nM | 6.44 | In vitro binding affinity is the ability to displace [3H]spiperone from human Do... | 7636875 |
| D(2) dopamine receptor | Ki | = | 3940.0 | nM | 5.41 | In vitro binding affinity is the ability to displace [3H]N-0437 from human Dopam... | 7636875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7636875 | 10.1021/jm00016a016 | D(2) dopamine receptor | 2 |
| 7636875 | 10.1021/jm00016a016 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine