Compound Detail
CHEMBL1773937
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Basic Information
| ChEMBL ID | CHEMBL1773937 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FNFOMFMVOHBKHO-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1789770 |
| Active Moiety | CHEMBL1789770 |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
140.1
MW (Da)
0.43
ALogP
2
HBA
2
HBD
66.0
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 4 CHEMBL3699 | IC50 | 4.54 | 4.54 | 28840.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 4 | IC50 | = | 28840.32 | nM | 4.54 | Inhibition of mouse GAT3-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