Compound Detail
CHEMBL3265064
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CCCN(CC[C@]1(O)C[C@@H](NC(=O)c2ccc3ccccc3c2)C1)[C@H]1C[C@@H]1c1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL3265064 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HUIZNJVXOSCZJU-UXLOVFDUSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
477.1
MW (Da)
5.77
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL3138 | Ki | 7.72 | 7.72 | 19.0 | 1 |
| D(3) dopamine receptor CHEMBL234 | Ki | 7.66 | 7.66 | 22.1 | 1 |
| D(2) dopamine receptor CHEMBL339 | Ki | 6.3 | 6.3 | 503.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 6.13 | 6.13 | 743.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.04 | 6.04 | 923.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 19.0 | nM | 7.72 | Displacement of [3H]R-(+)-7-OHDPAT from dopamine D3 receptor in Sprague-Dawley r... | 24848155 |
| D(3) dopamine receptor | Ki | = | 22.1 | nM | 7.66 | Displacement of [3H]N-methylspiperone from human dopamine D3 receptor expressed ... | 24848155 |
| D(2) dopamine receptor | Ki | = | 503.0 | nM | 6.3 | Displacement of [3H]Spiperone from dopamine D2-like receptor in Sprague-Dawley r... | 24848155 |
| Unchecked | Ki | = | 743.0 | nM | 6.13 | Displacement of [3H]SCH 23390 from dopamine D1-like receptor in Sprague-Dawley r... | 24848155 |
| D(2) dopamine receptor | Ki | = | 923.0 | nM | 6.04 | Displacement of [3H]N-methylspiperone from human dopamine D2 receptor expressed ... | 24848155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24848155 | 10.1021/jm401798r | Unchecked | 4 |
| 24848155 | 10.1021/jm401798r | D(2) dopamine receptor | 2 |
| 24848155 | 10.1021/jm401798r | D(3) dopamine receptor | 2 |
Data from ChEMBL 36 via Core Engine