Compound Detail
CHEMBL127226
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Basic Information
| ChEMBL ID | CHEMBL127226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DFYAIIXQJKVNLK-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
292.4
MW (Da)
3.34
ALogP
3
HBA
1
HBD
44.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 7.92 | 7.885 | 12.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 12.0 | nM | 7.92 | Agonist activity at human D4.4 receptor in HEK293 cells coexpressing G-alpha-qo5... | 17149874 |
| D(4) dopamine receptor | EC50 | = | 14.0 | nM | 7.85 | In vitro EC50 tested on HEK293 cells co-transfected with human Dopamine receptor... | 15239663 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15239663 | 10.1021/jm030505a | D(4) dopamine receptor | 2 |
| 17149874 | 10.1021/jm060662k | D(4) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine