Compound Detail
CHEMBL1270422
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Basic Information
| ChEMBL ID | CHEMBL1270422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEMQFIQYEGHERX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
2.25
ALogP
4
HBA
1
HBD
59.4
PSA (Ų)
0.90
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 7.49 | 7.49 | 32.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 32.71 | nM | 7.49 | Displacement of [3H]MSP from rat dopamine D4 receptor expressed in HEK293 cells ... | 20873719 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20873719 | 10.1021/jm100925m | No relevant target | 3 |
| 20873719 | 10.1021/jm100925m | D(4) dopamine receptor | 1 |
| 20873719 | 10.1021/jm100925m | D(2) dopamine receptor | 1 |
| 20873719 | 10.1021/jm100925m | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine