Compound Detail
CHEMBL602052
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Basic Information
| ChEMBL ID | CHEMBL602052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XFZGKJYILSESDD-PZJWPPBQSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
421.0
MW (Da)
3.74
ALogP
4
HBA
2
HBD
69.6
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.24 | 8.24 | 5.8 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.21 | 6.21 | 618.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 5.8 | nM | 8.24 | Binding affinity to dopamine D1 receptor | 20061148 |
| D(2) dopamine receptor | Ki | = | 618.0 | nM | 6.21 | Binding affinity to dopamine D2 receptor | 20061148 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20061148 | 10.1016/j.bmcl.2009.12.100 | D(1A) dopamine receptor | 1 |
| 20061148 | 10.1016/j.bmcl.2009.12.100 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine