Compound Detail
CHEMBL414706
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Basic Information
| ChEMBL ID | CHEMBL414706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOKRXHMBFMDKLV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
345.8
MW (Da)
2.79
ALogP
3
HBA
1
HBD
59.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(4) dopamine receptor CHEMBL219 | EC50 | 7.21 | 7.21 | 62.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(4) dopamine receptor | EC50 | = | 62.0 | nM | 7.21 | Agonist activity at human D4.4 receptor in HEK293 cells coexpressing G-alpha-qo5... | 17149874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17149874 | 10.1021/jm060662k | D(4) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine