Compound Detail
CHEMBL2164434
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL2164434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LEXAFGYQTMMLCP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
216.3
MW (Da)
2.70
ALogP
1
HBA
2
HBD
44.9
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 4.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 4.87 | 4.87 | 13570.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 4.67 | 4.67 | 21542.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 13570.0 | nM | 4.87 | Displacement of [125I]IABN from human D2L receptor expressed in HEK293 cells aft... | 22632094 |
| D(3) dopamine receptor | Ki | = | 21542.0 | nM | 4.67 | Displacement of [125I]IABN from human D3 receptor expressed in HEK293 cells afte... | 22632094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22632094 | 10.1021/jm300482h | D(3) dopamine receptor | 2 |
| 22809299 | 10.1021/jm301017v | D(3) dopamine receptor | 1 |
| 22809299 | 10.1021/jm301017v | D(2) dopamine receptor | 1 |
| 22632094 | 10.1021/jm300482h | Unchecked | 1 |
| 22632094 | 10.1021/jm300482h | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine