Compound Detail
CHEMBL153602
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Basic Information
| ChEMBL ID | CHEMBL153602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SHWAZDVCGJVDIW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
507.4
MW (Da)
2.77
ALogP
6
HBA
0
HBD
72.9
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.76 | 7.76 | 17.3 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.44 | 7.44 | 36.3 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 17.3 | nM | 7.76 | In vitro binding affinity towards serotonin transporter in rat cerebral cortical... | 8558525 |
| Sodium-dependent dopamine transporter | Ki | = | 36.3 | nM | 7.44 | In vitro binding affinity towards dopamine transporter in rat striatal membranes... | 8558525 |
| Norepinephrine transporter | Ki | = | 5000.0 | nM | 5.3 | 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