Compound Detail
CHEMBL1672359
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Basic Information
| ChEMBL ID | CHEMBL1672359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEAQNUMCWMRYMU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
2.29
ALogP
2
HBA
1
HBD
66.2
PSA (Ų)
0.86
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 5.66 | 5.525 | 2190.0 | 2 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 4.31 | 4.31 | 48700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 2190.0 | nM | 5.66 | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes | 21344069 |
| Sodium-dependent dopamine transporter | Ki | = | 4090.0 | nM | 5.39 | Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat striatal membranes i... | 32947229 |
| Sodium-dependent serotonin transporter | Ki | = | 48700.0 | nM | 4.31 | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat midbrain membrane... | 32947229 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32947229 | 10.1016/j.ejmech.2020.112674 | Unchecked | 2 |
| 21344069 | 10.1021/ml1002025 | Sodium-dependent dopamine transporter | 1 |
| 21344069 | 10.1021/ml1002025 | Sodium-dependent serotonin transporter | 1 |
| 21344069 | 10.1021/ml1002025 | Transporter | 1 |
| 32947229 | 10.1016/j.ejmech.2020.112674 | Sodium-dependent dopamine transporter | 1 |
| 32947229 | 10.1016/j.ejmech.2020.112674 | Sodium-dependent serotonin transporter | 1 |
| 32947229 | 10.1016/j.ejmech.2020.112674 | Sigma non-opioid intracellular receptor 1 | 1 |
Data from ChEMBL 36 via Core Engine