Compound Detail
CHEMBL2386164
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Basic Information
| ChEMBL ID | CHEMBL2386164 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNNRWIBSGBMYRF-DZGCQCFKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
278.4
MW (Da)
2.80
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.87
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 9.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 9.64 | 9.64 | 0.2 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.23 | nM | 9.64 | Displacement of [3H]citalopram from human SERT transfected in HEK293 cells after... | 24900709 |
| Sodium-dependent noradrenaline transporter | Ki | = | 30.0 | nM | 7.52 | Displacement of [3H]Nisoxetine from human NET transfected in HEK293 cells after ... | 24900709 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24900709 | 10.1021/ml400049p | Unchecked | 1 |
| 24900709 | 10.1021/ml400049p | Sodium-dependent dopamine transporter | 1 |
| 24900709 | 10.1021/ml400049p | Sodium-dependent noradrenaline transporter | 1 |
| 24900709 | 10.1021/ml400049p | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine