Compound Detail
CHEMBL1773947
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Basic Information
| ChEMBL ID | CHEMBL1773947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCWMZLARYIDEEZ-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
154.2
MW (Da)
0.75
ALogP
3
HBA
1
HBD
55.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.42 | 4.42 | 38018.9 | 1 |
| GABA transporter 4 CHEMBL3699 | IC50 | 4.4 | 4.4 | 39810.7 | 1 |
| GABA transporter 3 CHEMBL5205 | IC50 | 4.12 | 4.12 | 75857.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 38018.94 | nM | 4.42 | Inhibition of mouse GAT4-mediated [3H]GABA uptake expressed in human HEK cells | 21353350 |
| GABA transporter 4 | IC50 | = | 39810.72 | nM | 4.4 | Inhibition of mouse GAT3-mediated [3H]GABA uptake expressed in human HEK cells | 21353350 |
| GABA transporter 3 | IC50 | = | 75857.76 | nM | 4.12 | Inhibition of mouse GAT2-mediated [3H]GABA uptake expressed in human HEK cells | 21353350 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21353350 | 10.1016/j.ejmech.2011.01.042 | Unchecked | 4 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | GABA transporter 3 | 1 |
| 21353350 | 10.1016/j.ejmech.2011.01.042 | GABA transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine