Compound Detail
CHEMBL379177
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 | CHEMBL379177 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEDCYFFCKNISSG-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
316.4
MW (Da)
3.56
ALogP
4
HBA
0
HBD
34.0
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | Ki | 8.49 | 8.49 | 3.2 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.03 | 7.03 | 94.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.96 | 6.81 | 110.0 | 2 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 5.0 | 5.0 | 10000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | Ki | = | 3.2 | nM | 8.49 | Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed i... | 16563764 |
| D(3) dopamine receptor | Ki | = | 94.0 | nM | 7.03 | Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed i... | 16563764 |
| D(2) dopamine receptor | Ki | = | 110.0 | nM | 6.96 | Displacement of [3H]spiperone from human cloned dopamine D2(short) receptor expr... | 16563764 |
| D(2) dopamine receptor | Ki | = | 220.0 | nM | 6.66 | Displacement of [3H]spiperone from human cloned dopamine D2(long) receptor expre... | 16563764 |
| D(1A) dopamine receptor | Ki | = | 10000.0 | nM | 5.0 | Displacement of [3H]SCH-23390 from dopamine D1 receptor in porcine striatal memb... | 16563764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16563764 | 10.1016/j.bmcl.2006.02.075 | D(2) dopamine receptor | 2 |
| 16563764 | 10.1016/j.bmcl.2006.02.075 | D(3) dopamine receptor | 1 |
| 16563764 | 10.1016/j.bmcl.2006.02.075 | D(4) dopamine receptor | 1 |
| 16563764 | 10.1016/j.bmcl.2006.02.075 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine