Compound Detail
CHEMBL147159
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Basic Information
| ChEMBL ID | CHEMBL147159 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMTIAIJOJOQAEM-GOSISDBHSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
361.5
MW (Da)
5.07
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.80
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 8.66 | 8.325 | 2.2 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 8.47 | 8.47 | 3.4 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 7.17 | 7.17 | 68.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 2.2 | nM | 8.66 | Binding affinity towards human Dopamine receptor D2L evaluated using [3H]N-0437 | 8544176 |
| D(3) dopamine receptor | Ki | = | 3.4 | nM | 8.47 | Binding affinity towards human Dopamine receptor D3 evaluated using [3H]spiperon... | 8544176 |
| D(2) dopamine receptor | Ki | = | 10.3 | nM | 7.99 | Binding affinity towards human Dopamine receptor D2L evaluated using [3H]spipero... | 8544176 |
| D(4) dopamine receptor | Ki | = | 68.0 | nM | 7.17 | Binding affinity towards human Dopamine receptor D4.2 evaluated using [3H]spiper... | 8544176 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8544176 | 10.1021/jm00026a007 | D(2) dopamine receptor | 3 |
| 8544176 | 10.1021/jm00026a007 | D(3) dopamine receptor | 2 |
| 8544176 | 10.1021/jm00026a007 | Rattus norvegicus | 2 |
| 8544176 | 10.1021/jm00026a007 | D(4) dopamine receptor | 1 |
| 8544176 | 10.1021/jm00026a007 | Mus musculus | 1 |
| 8544176 | 10.1021/jm00026a007 | Monkey | 1 |
Data from ChEMBL 36 via Core Engine