Compound Detail
CHEMBL1642388
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Basic Information
| ChEMBL ID | CHEMBL1642388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DDFDSWOYYJUDPV-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
371.4
MW (Da)
4.58
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.81
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 7.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sodium- and chloride-dependent GABA transporter 1 CHEMBL1903 | Ki | 7.33 | 7.33 | 46.8 | 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 | = | 46.77 | nM | 7.33 | Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 ce... | 21134748 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21134748 | 10.1016/j.bmcl.2010.09.025 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
Data from ChEMBL 36 via Core Engine