Compound Detail
CHEMBL3403570
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 | CHEMBL3403570 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JINHQVCZXXMMJE-UYAOXDASSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
389.6
MW (Da)
5.73
ALogP
4
HBA
1
HBD
23.5
PSA (Ų)
0.65
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 2 CHEMBL4228 | IC50 | 4.46 | 4.46 | 34673.7 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 2 | IC50 | = | 34800.0 | nM | 4.46 | Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3... | 25882526 |
| GABA transporter 2 | IC50 | = | 34673.69 | nM | 4.46 | Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3... | 25882526 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25882526 | 10.1016/j.bmc.2015.03.060 | Sodium- and chloride-dependent GABA transporter 1 | 2 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 2 | 2 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 3 | 2 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 4 | 2 |
Data from ChEMBL 36 via Core Engine