Compound Detail
CHEMBL360901
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 | CHEMBL360901 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HIOVXNATPKFXOD-ROUUACIJSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.4
MW (Da)
3.82
ALogP
3
HBA
1
HBD
21.3
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Ki | 8.49 | 7.725 | 3.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Ki | = | 3.2 | nM | 8.49 | Inhibitory constant against Serotonin transporter | 15664840 |
| Unchecked | Ki | = | 108.6 | nM | 6.96 | Inhibitory constant determined against Norepinephrine transporter | 15664840 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15664840 | 10.1016/j.bmcl.2004.11.025 | Unchecked | 2 |
| 15664840 | 10.1016/j.bmcl.2004.11.025 | Sodium-dependent dopamine transporter | 1 |
Data from ChEMBL 36 via Core Engine