Compound Detail
CHEMBL543389
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 | CHEMBL543389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MPIJKUZSDZWJDR-HLRBRJAUSA-N |
| Parent Compound | CHEMBL1192193 |
| Active Moiety | CHEMBL1192193 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.5
MW (Da)
4.26
ALogP
3
HBA
2
HBD
41.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1) dopamine receptor CHEMBL2368 | Ki | 6.34 | 6.34 | 454.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.58 | 5.58 | 2630.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.55 | 5.55 | 2820.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1) dopamine receptor | Ki | = | 454.0 | nM | 6.34 | In vitro inhibition of dopamine stimulated adenylate cyclase | 1833546 |
| D(2) dopamine receptor | Ki | = | 2630.0 | nM | 5.58 | Binding affinity for dopamine receptor D2 | 1833546 |
| D(1A) dopamine receptor | Ki | = | 2820.0 | nM | 5.55 | Binding affinity for dopamine receptor D1 | 1833546 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1833546 | 10.1021/jm00114a002 | D(1A) dopamine receptor | 1 |
| 1833546 | 10.1021/jm00114a002 | D(2) dopamine receptor | 1 |
| 1833546 | 10.1021/jm00114a002 | D(1) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine