Compound Detail
CHEMBL131054
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Basic Information
| ChEMBL ID | CHEMBL131054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMWXLIIUEOVDML-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
291.8
MW (Da)
4.12
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 8.68 | 8.68 | 2.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 2.1 | nM | 8.68 | Binding affinity towards Dopamine receptor D1 in rat striatal tissue by [3H]-SCH... | - |
| D(2) dopamine receptor | Ki | = | 1600.0 | nM | 5.8 | Binding affinity towards Dopamine receptor D2 in rat striatal tissue by [3H]spip... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80155-9 | D(1A) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(00)80155-9 | D(2) dopamine receptor | 1 |
| - | 10.1016/S0960-894X(00)80155-9 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine