Compound Detail
CHEMBL277631
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Basic Information
| ChEMBL ID | CHEMBL277631 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWMDANRQWZFAPB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
3.64
ALogP
4
HBA
1
HBD
62.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 7.54 | 7.54 | 29.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 5.012 | nM | 8.3 | Binding affinity towards human Dopamine receptor D3 expressed in CHO cells by [1... | - |
| D(2) dopamine receptor | Ki | = | 25.12 | nM | 7.6 | Binding affinity towards human Dopamine receptor D2 expressed in CHO cells by [1... | - |
| D(2) dopamine receptor | Ki | = | 29.0 | nM | 7.54 | Ability to inhibit the [3H]spiperone binding to striatum Dopamine receptor D2 wa... | 2889830 |
| D(2) dopamine receptor | Ki | = | 29.0 | nM | 7.54 | Compound was evaluated for binding affinity towards Dopamine receptor D2 using r... | 1535660 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2889830 | 10.1021/jm00394a028 | D(2) dopamine receptor | 2 |
| 2889830 | 10.1021/jm00394a028 | Mus musculus | 2 |
| - | 10.1016/0960-894X(96)00202-8 | D(3) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00202-8 | D(2) dopamine receptor | 1 |
| - | 10.1016/0960-894X(96)00202-8 | Dopamine receptors; D2 & D3 | 1 |
| 2889830 | 10.1021/jm00394a028 | Rattus norvegicus | 1 |
| 1535660 | 10.1021/jm00091a002 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine