Compound Detail
CHEMBL27574
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Basic Information
| ChEMBL ID | CHEMBL27574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YUSPOIGOKXQAJK-SFHVURJKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
4.22
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 6.94 | 6.94 | 115.0 | 1 |
| Dopamine receptor CHEMBL2093868 | Ki | 6.56 | 6.56 | 278.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 5.87 | 5.87 | 1345.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 115.0 | nM | 6.94 | Binding affinity against Dopamine receptor D2 from rat brain corpus striatal pre... | 3385732 |
| Dopamine receptor | Ki | = | 278.0 | nM | 6.56 | Binding affinity against dopamine agonist sites from rat brain corpus striatal p... | 3385732 |
| D(1A) dopamine receptor | Ki | = | 1345.0 | nM | 5.87 | Binding affinity against Dopamine receptor D1 from rat brain corpus striatal pre... | 3385732 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3385732 | 10.1021/jm00402a024 | D(1A) dopamine receptor | 1 |
| 3385732 | 10.1021/jm00402a024 | D(2) dopamine receptor | 1 |
| 3385732 | 10.1021/jm00402a024 | Dopamine receptor | 1 |
| 3385732 | 10.1021/jm00402a024 | Dopamine D1 and D2 receptor | 1 |
Data from ChEMBL 36 via Core Engine