Compound Detail
CHEMBL378319
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Basic Information
| ChEMBL ID | CHEMBL378319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCVMCNVDASICFL-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
301.8
MW (Da)
2.92
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | IC50 | 7.12 | 7.12 | 75.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.04 | 5.04 | 9200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 14.0 | nM | 7.85 | Inhibition of [3H]5-HT reuptake at 5HT transporter in HEK293 cells | 16750363 |
| Sodium-dependent noradrenaline transporter | IC50 | = | 75.0 | nM | 7.12 | Inhibition of [3H]NA reuptake at NA transporter in HEK293 cells | 16750363 |
| Sodium-dependent dopamine transporter | IC50 | = | 9200.0 | nM | 5.04 | Inhibition of [3H]DA reuptake at DA transporter in HEK293 cells | 16750363 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16750363 | 10.1016/j.bmcl.2006.05.049 | Sodium-dependent dopamine transporter | 1 |
| 16750363 | 10.1016/j.bmcl.2006.05.049 | Sodium-dependent noradrenaline transporter | 1 |
| 16750363 | 10.1016/j.bmcl.2006.05.049 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine