Compound Detail
CHEMBL217627
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL217627 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KMRUPVHLDNPTES-KOQKOIQBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
350.5
MW (Da)
3.68
ALogP
4
HBA
1
HBD
55.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.89 | 7.89 | 12.9 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.97 | 5.97 | 1070.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 12.9 | nM | 7.89 | Displacement of [3H]WIN-35428 from DAT in rat striatal membrane | 17064081 |
| Sodium-dependent serotonin transporter | Ki | = | 1070.0 | nM | 5.97 | Displacement of [3H]citaloporam from SERT in rat brain | 17064081 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064081 | 10.1021/jm0603973 | Sodium-dependent dopamine transporter | 1 |
| 17064081 | 10.1021/jm0603973 | Sodium-dependent serotonin transporter | 1 |
Data from ChEMBL 36 via Core Engine