Compound Detail
CHEMBL1079254
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 | CHEMBL1079254 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEAUILQRYNKCJK-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
221.4
MW (Da)
3.12
ALogP
2
HBA
1
HBD
12.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 4.81
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter CHEMBL313 | IC50 | 6.28 | 6.28 | 524.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 4.81 | 4.81 | 15488.2 | 1 |
| Sodium-dependent serotonin transporter CHEMBL228 | EC50 | 4.76 | 4.76 | 17378.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium-dependent serotonin transporter | IC50 | = | 524.0 | nM | 6.28 | Inhibition of [3H]5-HT reuptake at rat SERT expressed in HEK293 cells after 2 mi... | 19717215 |
| HEK293 | EC50 | = | 15488.17 | nM | 4.81 | Cytotoxicity against human HEK293 cells after 48 hrs by neutral red assay | 19717215 |
| Sodium-dependent serotonin transporter | EC50 | = | 17378.01 | nM | 4.76 | Induction of human SERT-dependent cytotoxicity in SERT expressing HEK293 cells a... | 19717215 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19717215 | 10.1016/j.ejmech.2009.07.027 | Sodium-dependent serotonin transporter | 3 |
| 19717215 | 10.1016/j.ejmech.2009.07.027 | HEK293 | 1 |
| 19717215 | 10.1016/j.ejmech.2009.07.027 | SH-SY5Y | 1 |
Data from ChEMBL 36 via Core Engine