Compound Detail
CHEMBL59139
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 | CHEMBL59139 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMJWENQHWZZWDF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
313.8
MW (Da)
3.98
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 8.48 | 8.48 | 3.3 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.39 | 5.39 | 4115.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 3.3 | nM | 8.48 | Inhibition of [3H]SCH-23390 binding to rat striatal homogenate dopamine receptor... | 2666667 |
| D(2) dopamine receptor | Ki | = | 4115.0 | nM | 5.39 | Displacement of [3H]spiperone from rat striatal homogenate dopamine receptor D2 | 2666667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2666667 | 10.1021/jm00128a038 | D(1A) dopamine receptor | 1 |
| 2666667 | 10.1021/jm00128a038 | D(2) dopamine receptor | 1 |
| 10464009 | 10.1021/jm980415j | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine