Compound Detail
CHEMBL1643897
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Basic Information
| ChEMBL ID | CHEMBL1643897 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYCOWMQMXNLRHZ-GOOGKZTPSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.3
MW (Da)
4.05
ALogP
3
HBA
0
HBD
29.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL238 | Ki | 7.77 | 7.77 | 17.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | Ki | 6.3 | 6.3 | 500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 17.0 | nM | 7.77 | Inhibition of DAT | 21146989 |
| Sodium-dependent serotonin transporter | Ki | = | 500.0 | nM | 6.3 | Inhibition of SERT | 21146989 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21146989 | 10.1016/j.bmcl.2010.11.075 | Sodium-dependent noradrenaline transporter | 1 |
| 21146989 | 10.1016/j.bmcl.2010.11.075 | Sodium-dependent serotonin transporter | 1 |
| 21146989 | 10.1016/j.bmcl.2010.11.075 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine