Compound Detail
CHEMBL314912
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Basic Information
| ChEMBL ID | CHEMBL314912 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNEPFMQTSJAQGW-VGLNDMCTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
417.4
MW (Da)
3.07
ALogP
5
HBA
1
HBD
59.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | IC50 | 5.2 | 5.2 | 6300.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.02 | 5.02 | 9560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of [3H]WIN-35428 binding to Dopamine transporter in rhesus (Macaca mu... | 11472216 |
| Sodium-dependent serotonin transporter | IC50 | = | 9560.0 | nM | 5.02 | Inhibition of [3H]citalopram binding to the serotonin transporter in rhesus (Mac... | 11472216 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11472216 | 10.1021/jm0101242 | Sodium-dependent dopamine transporter | 1 |
| 11472216 | 10.1021/jm0101242 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine