Compound Detail
CHEMBL427154
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 | CHEMBL427154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | USZLLNFCNRAVLC-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
365.4
MW (Da)
5.65
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 9.3 | 8.0 | 0.5 | 5 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 0.5 | nM | 9.3 | Binding affinity for Norepinephrine transporter | 15454233 |
| Unchecked | Ki | = | 3.2 | nM | 8.49 | Binding affinity for 5-hydroxytryptamine transporter | 15454233 |
| Unchecked | Ki | = | 13.0 | nM | 7.89 | Binding affinity for 5-hydroxytryptamine transporter | 15454233 |
| Unchecked | Ki | = | 23.0 | nM | 7.64 | Binding affinity for Norepinephrine transporter | 15454233 |
| Unchecked | Ki | = | 208.0 | nM | 6.68 | Binding affinity for Dopamine 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