Compound Detail
CHEMBL3403603
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O=C(O)CCNCc1cn(CCOC(c2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc2)nn1
Basic Information
| ChEMBL ID | CHEMBL3403603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQRUDVQTSIEPIT-UHFFFAOYSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
516.4
MW (Da)
4.69
ALogP
6
HBA
2
HBD
89.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25882526 | 10.1016/j.bmc.2015.03.060 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 2 | 1 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 3 | 1 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 4 | 1 |
Data from ChEMBL 36 via Core Engine