Compound Detail
CHEMBL431946
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Basic Information
| ChEMBL ID | CHEMBL431946 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PJHOITVCPYOEFT-CYBMUJFWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.8
MW (Da)
3.50
ALogP
3
HBA
2
HBD
43.7
PSA (Ų)
0.73
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(2) dopamine receptor CHEMBL339 | Ki | 7.65 | 7.65 | 22.3 | 1 |
| D(1A) dopamine receptor CHEMBL265 | Ki | 7.13 | 7.13 | 74.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(2) dopamine receptor | Ki | = | 22.3 | nM | 7.65 | Binding affinity at rat striatal Dopamine receptor D2 using [3H]- piperone radio... | 1971309 |
| D(1A) dopamine receptor | Ki | = | 74.5 | nM | 7.13 | Binding affinity at rat striatal Dopamine receptor D1 using [3H]- SCH-23390 radi... | 1971309 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1971309 | 10.1021/jm00168a040 | D(1A) dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | D(2) dopamine receptor | 1 |
| 1971309 | 10.1021/jm00168a040 | Dopamine receptors; D1 & D2 | 1 |
Data from ChEMBL 36 via Core Engine