Compound Detail
CHEMBL401689
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 | CHEMBL401689 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OVHSYOZHNXMGQC-ZDUSSCGKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.3
MW (Da)
3.93
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.82 | 7.82 | 15.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.21 | 6.21 | 610.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 15.0 | nM | 7.82 | Displacement of [3H]SCH-23390 from rat dopamine D1 receptor | 17228858 |
| D(2) dopamine receptor | Ki | = | 610.0 | nM | 6.21 | Displacement of [3H]raclopride from rat dopamine D2 receptor | 17228858 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17228858 | 10.1021/jm060959i | D(1A) dopamine receptor | 1 |
| 17228858 | 10.1021/jm060959i | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine