Compound Detail
CHEMBL70086
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Basic Information
| ChEMBL ID | CHEMBL70086 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PMHIHKUUKVLSBG-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
3.16
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 5.07 | 5.07 | 8511.4 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.04 | 5.04 | 9200.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.04 | 5.04 | 9120.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 8511.38 | nM | 5.07 | Inhibition on Benzodiazepine receptor | 9435905 |
| GABA-A receptor; anion channel | IC50 | = | 9204.5 | nM | 5.04 | Binding affinity for rat benzodiazepine receptor inverse agonist site | 8667357 |
| GABA-A receptor; anion channel | IC50 | = | 9204.5 | nM | 5.04 | Binding affinity towards benzodiazepine receptor inverse agonist site by the dis... | 8411009 |
| GABA-A receptor; anion channel | IC50 | = | 9200.0 | nM | 5.04 | In vitro inhibition of 3[H]Diazepam binding to Benzodiazepine receptor from rat ... | 2167977 |
| Unchecked | IC50 | = | 9120.11 | nM | 5.04 | Displacement of [3H]diazepam from GABAA/BzR in rat brain membrane | 17964693 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8667357 | 10.1021/jm950589q | GABA-A receptor; anion channel | 1 |
| 8411009 | 10.1021/jm00072a012 | GABA-A receptor; anion channel | 1 |
| 9435905 | 10.1021/jm970488n | GABA-A receptor; anion channel | 1 |
| 2167977 | 10.1021/jm00171a007 | GABA-A receptor; anion channel | 1 |
| 17964693 | 10.1016/j.ejmech.2007.09.004 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine