Compound Detail
CHEMBL431898
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Basic Information
| ChEMBL ID | CHEMBL431898 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GWRZRVKIDUENPU-RBUKOAKNSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
263.4
MW (Da)
4.28
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Norepinephrine transporter CHEMBL304 | Ki | 8.25 | 8.25 | 5.6 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.64 | 7.64 | 23.1 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.93 | 6.93 | 117.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Norepinephrine transporter | Ki | = | 5.6 | nM | 8.25 | Inhibition of uptake of tritiated norepinephrine (NE) in rat synaptosomes | 3039136 |
| Sodium-dependent serotonin transporter | Ki | = | 23.1 | nM | 7.64 | Inhibition the uptake of tritiated serotonin (5-HT) by the serotonin transporter... | 3039136 |
| Sodium-dependent dopamine transporter | Ki | = | 117.0 | nM | 6.93 | Inhibition of the uptake of tritiated dopamine (DA) in rat synaptosomes | 3039136 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3039136 | 10.1021/jm00391a028 | Mus musculus | 2 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent dopamine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Norepinephrine transporter | 1 |
| 3039136 | 10.1021/jm00391a028 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine