Compound Detail
CHEMBL183259
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 | CHEMBL183259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYMDLSGAYXMOMK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
416.3
MW (Da)
2.94
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.51 | 7.51 | 30.8 | 1 |
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 7.35 | 7.35 | 44.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 30.8 | nM | 7.51 | Displacement of [3H]cyanoimiprimine from serotonin transporter of rat cerebral c... | 15482938 |
| Sodium-dependent dopamine transporter | Ki | = | 44.5 | nM | 7.35 | Displacement of [3H]CIT from dopamine transporter of rat striatal homogenate | 15482938 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15482938 | 10.1016/j.bmcl.2004.08.049 | Sodium-dependent dopamine transporter | 1 |
| 15482938 | 10.1016/j.bmcl.2004.08.049 | Sodium-dependent serotonin transporter | 1 |
| 15482938 | 10.1016/j.bmcl.2004.08.049 | Norepinephrine transporter | 1 |
| 15482938 | 10.1016/j.bmcl.2004.08.049 | Monoamine transporters; serotonin & dopamine | 1 |
| 15482938 | 10.1016/j.bmcl.2004.08.049 | Monoamine transporters; Norepininephrine & dopamine | 1 |
Data from ChEMBL 36 via Core Engine