Compound Detail
CHEMBL2048522
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CN(C)C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2CC[18F]
Basic Information
| ChEMBL ID | CHEMBL2048522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMQSLZSYEJWDRW-XPOMLNETSA-N |
| Parent Compound | CHEMBL2068870 |
| Active Moiety | CHEMBL2068870 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
338.9
MW (Da)
3.33
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 6.16 | 6.16 | 699.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 699.0 | nM | 6.16 | Displacement of [125I]IPT from DAT overexpressed in LLC-PK1 cell membrane by com... | 22658558 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22658558 | 10.1016/j.bmcl.2012.05.030 | No relevant target | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine