Compound Detail
CHEMBL171672
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Basic Information
| ChEMBL ID | CHEMBL171672 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEMJDPGTUJSAEG-SJLPKXTDSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
285.4
MW (Da)
2.72
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 5.6 | 5.6 | 2511.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 63.1 | nM | 7.2 | Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D3 express... | - |
| D(2) dopamine receptor | Ki | = | 2511.89 | nM | 5.6 | Inhibition of [125 I]iodosulpiride binding to human Dopamine receptor D2 express... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00126-1 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00126-1 | D(3) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(97)00126-1 | Dopamine receptors; D2 & D3 | 1 |
Data from ChEMBL 36 via Core Engine