Compound Detail
CHEMBL4566905
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 | CHEMBL4566905 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOFGZEWPLABWQJ-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
229.3
MW (Da)
2.55
ALogP
3
HBA
1
HBD
46.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 4 CHEMBL3699 | IC50 | 5.2 | 4.905 | 6309.6 | 2 |
| Sodium- and chloride-dependent GABA transporter 3 CHEMBL5208 | IC50 | 5.09 | 5.09 | 8128.3 | 1 |
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | IC50 | 4.53 | 4.53 | 29512.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 4 | IC50 | = | 6309.57 | nM | 5.2 | Inhibition of mouse GTA4 receptor | 31901745 |
| Sodium- and chloride-dependent GABA transporter 3 | IC50 | = | 8128.31 | nM | 5.09 | Inhibition of human GAT3 expressed in COS7 cells assessed as reduction in [2H6]G... | 30503411 |
| GABA transporter 4 | IC50 | = | 24547.09 | nM | 4.61 | Inhibition of mouse GAT4 expressed in HEK cells assessed as reduction in [3H]GAB... | 30503411 |
| Sodium- and chloride-dependent GABA transporter 1 | IC50 | = | 29512.09 | nM | 4.53 | Inhibition of mouse GAT1 expressed in HEK cells assessed as reduction in [3H]GAB... | 30503411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31901745 | 10.1016/j.ejmech.2019.111920 | GABA transporter 3 | 2 |
| 30503411 | 10.1016/j.bmc.2018.11.028 | Sodium- and chloride-dependent GABA transporter 3 | 1 |
| 30503411 | 10.1016/j.bmc.2018.11.028 | GABA transporter 4 | 1 |
| 30503411 | 10.1016/j.bmc.2018.11.028 | GABA transporter 3 | 1 |
| 30503411 | 10.1016/j.bmc.2018.11.028 | GABA transporter 2 | 1 |
| 30503411 | 10.1016/j.bmc.2018.11.028 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 31901745 | 10.1016/j.ejmech.2019.111920 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 31901745 | 10.1016/j.ejmech.2019.111920 | GABA transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine