Compound Detail
CHEMBL3318852
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Basic Information
| ChEMBL ID | CHEMBL3318852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CPIWUAZRERXKBW-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
389.9
MW (Da)
3.95
ALogP
3
HBA
1
HBD
57.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL217 | Ki | 6.33 | 6.2 | 470.0 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 5.77 | 5.77 | 1700.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 4.75 | 4.75 | 18000.0 | 1 |
| D(1A) dopamine receptor CHEMBL5067 | Ki | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 470.0 | nM | 6.33 | Displacement of [3H]spiperone from human D2short receptor stably expressed in CH... | 25047579 |
| D(2) dopamine receptor | Ki | = | 860.0 | nM | 6.07 | Displacement of [3H]spiperone from human D2long receptor stably expressed in CHO... | 25047579 |
| D(3) dopamine receptor | Ki | = | 1700.0 | nM | 5.77 | Displacement of [3H]spiperone from human D3 receptor stably expressed in CHO cel... | 25047579 |
| D(4) dopamine receptor | Ki | = | 18000.0 | nM | 4.75 | Displacement of [3H]spiperone from human D4.4 receptor stably expressed in CHO c... | 25047579 |
| D(1A) dopamine receptor | Ki | = | 19000.0 | nM | 4.72 | Displacement of [3H]SCH23390 from porcine striatal membranes D1 receptor by comp... | 25047579 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25047579 | 10.1016/j.bmcl.2014.06.079 | D(2) dopamine receptor | 2 |
| 25047579 | 10.1016/j.bmcl.2014.06.079 | D(3) dopamine receptor | 1 |
| 25047579 | 10.1016/j.bmcl.2014.06.079 | D(4) dopamine receptor | 1 |
| 25047579 | 10.1016/j.bmcl.2014.06.079 | D(1A) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine