Compound Detail
CHEMBL3900352
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL3900352 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTUJAWIOFULCKV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
455.4
MW (Da)
3.83
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.62
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.39 | 6.39 | 403.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 4.23 | 4.23 | 58900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 403.0 | nM | 6.39 | Displacement of [3H]WIN35,428 from DAT in Sprague-Dawley rat brain membranes inc... | 27933960 |
| Sodium-dependent serotonin transporter | Ki | = | 58900.0 | nM | 4.23 | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain stem membra... | 27933960 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27933960 | 10.1021/acs.jmedchem.6b01373 | Unchecked | 3 |
| 27933960 | 10.1021/acs.jmedchem.6b01373 | Sodium-dependent dopamine transporter | 1 |
| 27933960 | 10.1021/acs.jmedchem.6b01373 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine