Compound Detail
CHEMBL206170
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Basic Information
| ChEMBL ID | CHEMBL206170 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KHYPPUBLNCEADC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
335.2
MW (Da)
5.25
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.70
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA receptor subunit CHEMBL3986 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.9 | 6.9 | 126.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2094133 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA receptor subunit | IC50 | = | 30.0 | nM | 7.52 | Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor | 16386419 |
| Unchecked | IC50 | = | 126.0 | nM | 6.9 | Selectivity for housefly GABA receptor over mouse GABA receptor | 16386419 |
| GABA-A receptor; anion channel | IC50 | = | 3800.0 | nM | 5.42 | Binding affinity to mouse brain GABA receptor | 16386419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16386419 | 10.1016/j.bmcl.2005.12.012 | Ctenocephalides felis | 3 |
| 16386419 | 10.1016/j.bmcl.2005.12.012 | GABA receptor subunit | 1 |
| 16386419 | 10.1016/j.bmcl.2005.12.012 | GABA-A receptor; anion channel | 1 |
| 16386419 | 10.1016/j.bmcl.2005.12.012 | Unchecked | 1 |
| 16386419 | 10.1016/j.bmcl.2005.12.012 | Musca domestica | 1 |
Data from ChEMBL 36 via Core Engine