Compound Detail
CHEMBL383451
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Basic Information
| ChEMBL ID | CHEMBL383451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WPJVKYVAARSXKN-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
4.32
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1B) dopamine receptor CHEMBL1850 | Ki | 8.92 | 8.92 | 1.2 | 1 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.49 | 8.455 | 3.2 | 2 |
| D(2) dopamine receptor CHEMBL217 | Ki | 7.43 | 7.245 | 37.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1B) dopamine receptor | Ki | = | 1.2 | nM | 8.92 | Inhibition of D5 dopamine receptor in HEK 293 cells by intracellular calcium ass... | 16539400 |
| D(1A) dopamine receptor | Ki | = | 3.2 | nM | 8.49 | Displacement of [3H]SCH 23390 from D1 dopamine receptor | 16539400 |
| D(1A) dopamine receptor | Ki | = | 3.8 | nM | 8.42 | Inhibition of D1 dopamine receptor in HEK 293 cells by intracellular calcium ass... | 16539400 |
| D(2) dopamine receptor | Ki | = | 37.5 | nM | 7.43 | Inhibition of D2L dopamine receptor in HEK 293 cells by intracellular calcium as... | 16539400 |
| D(2) dopamine receptor | Ki | = | 88.0 | nM | 7.06 | Displacement of [3H]spiperone from D2L dopamine receptor | 16539400 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16539400 | 10.1021/jm051237e | D(1A) dopamine receptor | 2 |
| 16539400 | 10.1021/jm051237e | D(2) dopamine receptor | 2 |
| 16539400 | 10.1021/jm051237e | D(3) dopamine receptor | 2 |
| 16539400 | 10.1021/jm051237e | D(1B) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine