Compound Detail
CHEMBL356652
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Basic Information
| ChEMBL ID | CHEMBL356652 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBDQDRSEYYQZOF-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
492.2
MW (Da)
4.19
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 9.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 9.46 | 9.46 | 0.3 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.59 | 8.59 | 2.6 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 6.79 | 6.79 | 164.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 0.35 | nM | 9.46 | In vitro binding affinity towards serotonin transporter in rat cerebral cortical... | 8558525 |
| Sodium-dependent dopamine transporter | Ki | = | 2.56 | nM | 8.59 | In vitro binding affinity towards dopamine transporter in rat striatal membranes... | 8558525 |
| Norepinephrine transporter | Ki | = | 164.0 | nM | 6.79 | In vitro binding affinity towards Norepinephrine transporter rat cerebral cortic... | 8558525 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8558525 | 10.1021/jm9505324 | Sodium-dependent dopamine transporter | 1 |
| 8558525 | 10.1021/jm9505324 | Sodium-dependent serotonin transporter | 1 |
| 8558525 | 10.1021/jm9505324 | Norepinephrine transporter | 1 |
| 8558525 | 10.1021/jm9505324 | Monoamine transporters; serotonin & dopamine | 1 |
| 8558525 | 10.1021/jm9505324 | Monoamine transporters; Norepininephrine & dopamine | 1 |
Data from ChEMBL 36 via Core Engine