Compound Detail
CHEMBL604129
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CN1CCc2cc(Cl)c(O)cc2[C@H]2c3cccc(NC(=O)Nc4c(Cl)cccc4Cl)c3CC[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL604129 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SVNHWLZUROYKTP-LADGPHEKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
516.9
MW (Da)
6.93
ALogP
3
HBA
3
HBD
64.6
PSA (Ų)
0.35
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(1A) dopamine receptor CHEMBL2056 | Ki | 8.15 | 8.15 | 7.1 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.25 | 6.25 | 566.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(1A) dopamine receptor | Ki | = | 7.1 | nM | 8.15 | Binding affinity to dopamine D1 receptor | 20061148 |
| D(2) dopamine receptor | Ki | = | 566.0 | nM | 6.25 | 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