Compound Detail
CHEMBL109776
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Basic Information
| ChEMBL ID | CHEMBL109776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QUXIGJBRICTBKX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
416.5
MW (Da)
5.33
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.49 | 5.49 | 3213.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 4.31 | 4.31 | 49179.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 3213.0 | nM | 5.49 | Affinity was evaluated using [3H]WIN-35428 (radioligand) on Cloned human Dopamin... | 9703474 |
| Sodium-dependent serotonin transporter | IC50 | = | 49179.0 | nM | 4.31 | Affinity was evaluated using [3H]citalopram (radioligand) on human serotonin tra... | 9703474 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9703474 | 10.1021/jm980066t | Sodium-dependent dopamine transporter | 2 |
| 9703474 | 10.1021/jm980066t | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine