Compound Detail
CHEMBL323997
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Fc1ccc(C(OCCN2C3CCC2CC(OC(c2ccc(F)cc2)c2ccc(F)cc2)C3)c2ccc(F)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL323997 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAKDULMGTDUKRO-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
575.6
MW (Da)
8.15
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| D(3) dopamine receptor CHEMBL234 | Ki | 6.67 | 6.67 | 214.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.2 | 6.2 | 634.0 | 1 |
| D(4) dopamine receptor CHEMBL219 | Ki | 6.06 | 6.06 | 868.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | Ki | 6.03 | 6.03 | 927.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| D(3) dopamine receptor | Ki | = | 214.0 | nM | 6.67 | Binding affinity at dopamine receptor D3 | 11543687 |
| Sodium-dependent dopamine transporter | Ki | = | 634.0 | nM | 6.2 | Displacement of [3H]WIN-35 428 from the dopamine transporter in rat caudate puta... | 9435902 |
| D(4) dopamine receptor | Ki | = | 868.0 | nM | 6.06 | Binding affinity at human dopamine receptor D4 | 11543687 |
| D(2) dopamine receptor | Ki | = | 927.0 | nM | 6.03 | Binding affinity at human dopamine receptor D2 | 11543687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11543687 | 10.1021/jm010146o | D(3) dopamine receptor | 1 |
| 11543687 | 10.1021/jm010146o | D(2) dopamine receptor | 1 |
| 11543687 | 10.1021/jm010146o | D(4) dopamine receptor | 1 |
| 11543687 | 10.1021/jm010146o | Dopamine receptors; D2 & D3 | 1 |
| 11543687 | 10.1021/jm010146o | Dopamine receptors; D3 & D4 | 1 |
| 9435902 | 10.1021/jm970525a | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine