Compound Detail
CHEMBL58422
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Basic Information
| ChEMBL ID | CHEMBL58422 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMJWENQHWZZWDF-MJGOQNOKSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
1
Known Names
Molecular Properties
313.8
MW (Da)
3.98
ALogP
2
HBA
1
HBD
23.5
PSA (Ų)
0.79
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.29
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 6.29 | 6.29 | 513.0 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 6.28 | 6.28 | 531.0 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 5.52 | 5.52 | 3046.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 513.0 | nM | 6.29 | Binding affinity to displace [3H]-SCH- 23390 against Dopamine receptor D1 | 1973733 |
| D(1A) dopamine receptor | Ki | = | 531.0 | nM | 6.28 | Inhibition of [3H]SCH-23390 binding to rat striatal homogenate dopamine receptor... | 2666667 |
| D(2) dopamine receptor | Ki | = | 3046.0 | nM | 5.52 | Displacement of [3H]spiperone from rat striatal homogenate dopamine receptor D2 | 2666667 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1973733 | 10.1021/jm00170a025 | D(1A) dopamine receptor | 1 |
| 2666667 | 10.1021/jm00128a038 | D(1A) dopamine receptor | 1 |
| 2666667 | 10.1021/jm00128a038 | D(2) dopamine receptor | 1 |
| 10836148 | 10.1146/annurev.pharmtox.40.1.581 | UDP-glucuronosyltransferase 2B15 | 1 |
Data from ChEMBL 36 via Core Engine