Compound Detail
CHEMBL2425371
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Basic Information
| ChEMBL ID | CHEMBL2425371 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QENRDSSNVLVQMF-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
297.4
MW (Da)
2.76
ALogP
4
HBA
2
HBD
52.9
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.13 | 7.12 | 74.1 | 2 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.02 | 5.99 | 955.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 74.13 | nM | 7.13 | Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membra... | 23974015 |
| D(2) dopamine receptor | Ki | = | 78.0 | nM | 7.11 | Displacement of [3H]-raclopride from dopamine D2 receptor in rat striatal membra... | 23974015 |
| D(1A) dopamine receptor | Ki | = | 954.99 | nM | 6.02 | Displacement of [3H]-SCH 23390 from dopamine D1 receptor in rat striatal membran... | 23974015 |
| D(1A) dopamine receptor | Ki | = | 1108.0 | nM | 5.96 | 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