Compound Detail
CHEMBL204682
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Basic Information
| ChEMBL ID | CHEMBL204682 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSRFKHITIJTTIS-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
4
PK Parameters
7
Publications
0
Known Names
Molecular Properties
357.1
MW (Da)
5.10
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.65
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| GABA receptor subunit CHEMBL3986 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
| GABA-A receptor; anion channel CHEMBL2094133 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 255.1 | pmol/min/mg | Mus musculus |
| CL | - | - | Canis lupus familiaris |
| T1/2 | 0.3733 | hr | Mus musculus |
| T1/2 | - | - | Canis lupus familiaris |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 5.0 | nM | 8.3 | Selectivity for housefly GABA receptor over mouse GABA receptor | 16386419 |
| GABA receptor subunit | IC50 | = | 200.0 | nM | 6.7 | Displacement of [3H]EBOB from housefly neuronal membrane GABA receptor | 16386419 |
| GABA-A receptor; anion channel | IC50 | = | 1000.0 | nM | 6.0 | 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 | 2 |
| 16386419 | 10.1016/j.bmcl.2005.12.012 | Mus musculus | 2 |
| 16386419 | 10.1016/j.bmcl.2005.12.012 | Canis familiaris | 2 |
| 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