Compound Detail
CHEMBL3289643
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 | CHEMBL3289643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPFAMVVFLCOFSK-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
354.9
MW (Da)
3.91
ALogP
3
HBA
0
HBD
23.6
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL3361 | Ki | 7.45 | 7.445 | 35.5 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.41 | 6.09 | 389.1 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.34 | 5.34 | 4534.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 35.48 | nM | 7.45 | Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by PDSP assa... | 24800940 |
| D(4) dopamine receptor | Ki | = | 36.0 | nM | 7.44 | Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by PDSP assa... | 24800940 |
| D(1A) dopamine receptor | Ki | = | 389.05 | nM | 6.41 | Displacement of [3H]SCH23390 from human dopamine D1 receptor by PDSP assay | 24800940 |
| D(1A) dopamine receptor | Ki | = | 1701.0 | nM | 5.77 | Displacement of [3H]SCH23390 from human dopamine D1 receptor by PDSP assay | 24800940 |
| D(3) dopamine receptor | Ki | = | 4534.0 | nM | 5.34 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP as... | 24800940 |
| D(3) dopamine receptor | Ki | = | 4570.88 | nM | 5.34 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP as... | 24800940 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(1A) dopamine receptor | 2 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(3) dopamine receptor | 2 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(4) dopamine receptor | 2 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | Unchecked | 2 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(2) dopamine receptor | 1 |
| 24800940 | 10.1016/j.bmc.2014.04.026 | D(1B) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine