Compound Detail
CHEMBL3094168
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 | CHEMBL3094168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SOYXTZZNZQFLGF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
385.3
MW (Da)
4.44
ALogP
3
HBA
0
HBD
36.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.33
Ki 1 meas. best 7.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | Ki | 7.94 | 7.94 | 11.4 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.05 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | Ki | = | 11.4 | nM | 7.94 | Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 b... | 24237160 |
| Sodium-dependent serotonin transporter | IC50 | = | 4700.0 | nM | 5.33 | Allosteric modulation at wild-type human SERT site S2 expressed in african green... | 24237160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24237160 | 10.1021/jm4014136 | Sodium-dependent serotonin transporter | 4 |
| 24237160 | 10.1021/jm4014136 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine