Compound Detail
CHEMBL2048525
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Basic Information
| ChEMBL ID | CHEMBL2048525 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VASQEHCFVIZSPK-QUIJITIRSA-N |
| Parent Compound | CHEMBL2068873 |
| Active Moiety | CHEMBL2068873 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
338.9
MW (Da)
4.20
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.57 | 7.57 | 26.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 26.9 | nM | 7.57 | 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 | Nucleic Acid | 4 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Hypothalamus | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Hippocampus | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Cortex | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Striatum | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Cerebellum | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Brain | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Liver | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Bone | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Kidney | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Lung | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Muscle | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Heart | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | No relevant target | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Blood | 1 |
| 22658558 | 10.1016/j.bmcl.2012.05.030 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine