Compound Detail
CHEMBL169612
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Basic Information
| ChEMBL ID | CHEMBL169612 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWSWMCOIGJWFFP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
275.7
MW (Da)
3.52
ALogP
5
HBA
2
HBD
68.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.51 | 6.51 | 310.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.5 | 6.5 | 320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 310.0 | nM | 6.51 | Displacement of [3H]-diazepam from benzodiazepine receptor in rat brain membrane... | 28734245 |
| GABA-A receptor; anion channel | IC50 | = | 320.0 | nM | 6.5 | Inhibition of binding of tritiated 3[H]diazepam radioligand to rat brain homogen... | 6304314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 6304314 | 10.1021/jm00360a011 | GABA-A receptor; anion channel | 1 |
| 6304314 | 10.1021/jm00360a011 | Mus musculus | 1 |
| 28734245 | 10.1016/j.ejmech.2017.07.009 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine