Compound Detail
CHEMBL55630
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Basic Information
| ChEMBL ID | CHEMBL55630 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DMLIEGFLXSROFK-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
257.3
MW (Da)
3.63
ALogP
4
HBA
0
HBD
39.2
PSA (Ų)
0.66
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.01 | 5.83 | 980.0 | 4 |
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 5.77 | 5.77 | 1698.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.77 | 5.77 | 1698.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 980.0 | nM | 6.01 | In vitro inhibition of binding to the benzodiazepine receptor in rat cerebral co... | 2842507 |
| GABA-A receptor; anion channel | IC50 | = | 1698.24 | nM | 5.77 | Binding affinity for rat benzodiazepine receptor inverse agonist site | 8667357 |
| GABA-A receptor; anion channel | IC50 | = | 1698.24 | nM | 5.77 | Binding affinity towards benzodiazepine receptor inverse agonist site by the dis... | 8411009 |
| GABA-A receptor; anion channel | IC50 | = | 1698.24 | nM | 5.77 | Inhibition on Benzodiazepine receptor | 9435905 |
| GABA-A receptor; anion channel | IC50 | = | 1700.0 | nM | 5.77 | In vitro inhibition of 3[H]Diazepam binding to Benzodiazepine receptor from rat ... | 2167977 |
| Unchecked | IC50 | = | 1698.24 | nM | 5.77 | 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 |
| 1977911 | 10.1021/jm00173a031 | Rattus norvegicus | 1 |
| 1977911 | 10.1021/jm00173a031 | Mus musculus | 1 |
| 2842507 | 10.1021/jm00117a029 | 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