Compound Detail
CHEMBL70336
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Basic Information
| ChEMBL ID | CHEMBL70336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRBGUWVSIXXHDV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
323.5
MW (Da)
4.34
ALogP
4
HBA
0
HBD
29.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.21 | 5.21 | 6100.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.02 | 5.02 | 9600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 6100.0 | nM | 5.21 | Displacement of [125I]RTI-55 from Dopamine transporter of rat caudate membranes | 12127543 |
| Sodium-dependent serotonin transporter | Ki | = | 9600.0 | nM | 5.02 | Inhibition of [125I]RTI-55 binding to Serotonin transporter of rat caudate membr... | 12127543 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12127543 | 10.1016/s0960-894x(02)00348-7 | Sodium-dependent dopamine transporter | 1 |
| 12127543 | 10.1016/s0960-894x(02)00348-7 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine