Compound Detail
CHEMBL214923
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Basic Information
| ChEMBL ID | CHEMBL214923 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKVQJIISOMHZTO-NSKBAKJYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
4.14
ALogP
4
HBA
1
HBD
47.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 8.05 | 8.05 | 8.9 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 6.25 | 6.25 | 563.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.67 | 5.67 | 2150.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 4.77 | 4.77 | 17100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 8.87 | nM | 8.05 | Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat brain | 17034144 |
| Norepinephrine transporter | Ki | = | 563.0 | nM | 6.25 | Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat brain | 17034144 |
| Sodium-dependent serotonin transporter | Ki | = | 2150.0 | nM | 5.67 | Displacement of [3H]citalopram from SERT in Sprague-Dawley rat brain | 17034144 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 17100.0 | nM | 4.77 | Displacement of [3H]pirenzepine from M1 receptor in Sprague-Dawley rat brain | 17034144 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17034144 | 10.1021/jm060762q | Sodium-dependent dopamine transporter | 1 |
| 17034144 | 10.1021/jm060762q | Sodium-dependent serotonin transporter | 1 |
| 17034144 | 10.1021/jm060762q | Norepinephrine transporter | 1 |
| 17034144 | 10.1021/jm060762q | Muscarinic acetylcholine receptor M1 | 1 |
| 17034144 | 10.1021/jm060762q | Monoamine transporters; serotonin & dopamine | 1 |
| 17034144 | 10.1021/jm060762q | Monoamine transporters; Norepininephrine & dopamine | 1 |
| 17034144 | 10.1021/jm060762q | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine