Compound Detail
CHEMBL2425378
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Basic Information
| ChEMBL ID | CHEMBL2425378 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNNDXBUBKOYLIM-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
295.3
MW (Da)
2.78
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.81
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.55 | 7.505 | 28.2 | 2 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.47 | 6.465 | 338.8 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 28.18 | nM | 7.55 | Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membra... | 23974015 |
| D(2) dopamine receptor | Ki | = | 35.0 | nM | 7.46 | Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membra... | 23974015 |
| D(1A) dopamine receptor | Ki | = | 338.84 | nM | 6.47 | Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membran... | 23974015 |
| D(1A) dopamine receptor | Ki | = | 344.0 | nM | 6.46 | Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membran... | 23974015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23974015 | 10.1016/j.ejmech.2013.07.036 | ADMET | 3 |
| 23974015 | 10.1016/j.ejmech.2013.07.036 | D(2) dopamine receptor | 2 |
| 23974015 | 10.1016/j.ejmech.2013.07.036 | D(1A) dopamine receptor | 2 |
| 23974015 | 10.1016/j.ejmech.2013.07.036 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine