Compound Detail
CHEMBL3603956
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Basic Information
| ChEMBL ID | CHEMBL3603956 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJKWLAZYSLJTKA-SECBINFHSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
207.3
MW (Da)
1.61
ALogP
3
HBA
1
HBD
30.5
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | EC50 | 6.24 | 6.24 | 573.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.71 | 5.71 | 1952.0 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | EC50 | 4.84 | 4.84 | 14600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | EC50 | = | 573.0 | nM | 6.24 | Binding affinity to SERT in Sprague-Dawley rat brain synaptosomes assessed as in... | 26233799 |
| Unchecked | EC50 | = | 1952.0 | nM | 5.71 | Binding affinity to NET in Sprague-Dawley rat brain synaptosomes assessed as ind... | 26233799 |
| Sodium-dependent dopamine transporter | EC50 | = | 14600.0 | nM | 4.84 | Binding affinity to DAT in Sprague-Dawley rat brain synaptosomes assessed as ind... | 26233799 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26233799 | 10.1016/j.bmc.2015.07.035 | Unchecked | 2 |
| 26233799 | 10.1016/j.bmc.2015.07.035 | Sodium-dependent dopamine transporter | 2 |
| 26233799 | 10.1016/j.bmc.2015.07.035 | Sodium-dependent serotonin transporter | 2 |
Data from ChEMBL 36 via Core Engine