Compound Detail
CHEMBL261736
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 | CHEMBL261736 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RRJORRWIIOPMFS-SDHOMARFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
404.5
MW (Da)
4.40
ALogP
3
HBA
3
HBD
44.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter CHEMBL338 | Ki | 6.63 | 6.63 | 236.0 | 1 |
| Norepinephrine transporter CHEMBL304 | Ki | 5.84 | 5.84 | 1435.0 | 1 |
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 5.54 | 5.54 | 2895.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent dopamine transporter | Ki | = | 236.0 | nM | 6.63 | Inhibition of [3H]dopamine uptake in DAT in rat striatum | 18249549 |
| Norepinephrine transporter | Ki | = | 1435.0 | nM | 5.84 | Inhibition of [3H]NE uptake in NET in rat cerebral cortex | 18249549 |
| Sodium-dependent serotonin transporter | Ki | = | 2895.0 | nM | 5.54 | Inhibition of [3H]5HT uptake in SERT in rat cerebral cortex | 18249549 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18249549 | 10.1016/j.bmc.2008.01.009 | Unchecked | 2 |
| 18249549 | 10.1016/j.bmc.2008.01.009 | Sodium-dependent dopamine transporter | 1 |
| 18249549 | 10.1016/j.bmc.2008.01.009 | Sodium-dependent serotonin transporter | 1 |
| 18249549 | 10.1016/j.bmc.2008.01.009 | Norepinephrine transporter | 1 |
Data from ChEMBL 36 via Core Engine