Compound Detail
CHEMBL4126231
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Basic Information
| ChEMBL ID | CHEMBL4126231 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DLOAVGKWZGUJLW-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
4.29
ALogP
6
HBA
1
HBD
71.9
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL5445 | Ki | 4.11 | 4.11 | 77624.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 | Ki | = | 77624.71 | nM | 4.11 | Inhibition of [2H10]NO 711 binding to mouse GAT1 expressed in HEK293 cell membra... | 29886082 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29886082 | 10.1016/j.bmc.2018.05.049 | Sodium- and chloride-dependent GABA transporter 1 | 2 |
| 29886082 | 10.1016/j.bmc.2018.05.049 | GABA transporter 4 | 2 |
| 29886082 | 10.1016/j.bmc.2018.05.049 | GABA transporter 3 | 1 |
Data from ChEMBL 36 via Core Engine