Compound Detail
CHEMBL292451
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Basic Information
| ChEMBL ID | CHEMBL292451 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJXGGSUCGLJFTO-FXAWDEMLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.4
MW (Da)
3.34
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.88
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.63 | 7.63 | 23.6 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.61 | 5.61 | 2477.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 23.6 | nM | 7.63 | Inhibition of [3H]SCH-23390 binding to rat striatal homogenate dopamine receptor... | 2666667 |
| D(2) dopamine receptor | Ki | = | 2477.0 | nM | 5.61 | Displacement of [3H]spiperone from rat striatal homogenate dopamine receptor D2 | 2666667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2666667 | 10.1021/jm00128a038 | D(1A) dopamine receptor | 1 |
| 2666667 | 10.1021/jm00128a038 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine