Compound Detail
CHEMBL3403563
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Basic Information
| ChEMBL ID | CHEMBL3403563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTSIDGAVICKWLM-LOSJGSFVSA-N |
1
Targets
8
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
389.5
MW (Da)
5.18
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.77
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 8 meas. best 4.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA transporter 2 CHEMBL4228 | IC50 | 4.05 | 4.05 | 88900.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA transporter 2 | IC50 | = | 88900.0 | nM | 4.05 | Inhibition of mouse mGAT2 expressed in HEK293 cells assessed as inhibition of [3... | 25882526 |
| GABA transporter 2 | IC50 | = | 89125.09 | nM | 4.05 | 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 | GABA transporter 2 | 2 |
| 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 3 | 2 |
| 25882526 | 10.1016/j.bmc.2015.03.060 | GABA transporter 4 | 2 |
Data from ChEMBL 36 via Core Engine