Compound Detail
CHEMBL2425376
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Basic Information
| ChEMBL ID | CHEMBL2425376 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJCUJBCYBXGZOY-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
283.3
MW (Da)
2.46
ALogP
4
HBA
3
HBD
63.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 6 meas. best 7.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.07 | 7.05 | 85.1 | 2 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.03 | 7.03 | 93.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.46 | 5.44 | 3467.4 | 2 |
| D(1A) dopamine receptor CHEMBL2056 | Ki | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 85.11 | nM | 7.07 | Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membra... | 23974015 |
| D(2) dopamine receptor | Ki | = | 93.0 | nM | 7.03 | Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membra... | 23974015 |
| D(3) dopamine receptor | Ki | = | 93.0 | nM | 7.03 | Binding affinity to D3 receptor (unknown origin) assessed as inhibition constant | 39038276 |
| D(1A) dopamine receptor | Ki | = | 3467.37 | nM | 5.46 | Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membran... | 23974015 |
| D(1A) dopamine receptor | Ki | = | 3775.0 | nM | 5.42 | Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membran... | 23974015 |
| D(1A) dopamine receptor | Ki | = | 3800.0 | nM | 5.42 | Binding affinity to D1 receptor (unknown origin) assessed as inhibition constant | 39038276 |
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 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(1A) dopamine receptor | 1 |
| 39038276 | 10.1021/acs.jmedchem.4c00537 | D(3) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine