Compound Detail
CHEMBL184134
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 | CHEMBL184134 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKEJOBKQFKYDFL-UHFFFAOYSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
4.77
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.4 | 9.045 | 0.4 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.4 | nM | 9.4 | Binding affinity for 5-hydroxytryptamine transporter | 15454233 |
| Unchecked | Ki | = | 1.0 | nM | 9.0 | Binding affinity for Norepinephrine transporter | 15454233 |
| Unchecked | Ki | = | 1.1 | nM | 8.96 | Binding affinity for Norepinephrine transporter | 15454233 |
| Unchecked | Ki | = | 1.5 | nM | 8.82 | Binding affinity for 5-hydroxytryptamine transporter | 15454233 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15454233 | 10.1016/j.bmcl.2004.08.005 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine