Compound Detail
CHEMBL302056
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Basic Information
| ChEMBL ID | CHEMBL302056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSEVRQDRIQMBCV-UHFFFAOYSA-N |
3
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
291.7
MW (Da)
4.96
ALogP
1
HBA
2
HBD
44.5
PSA (Ų)
0.42
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.15 | 6.15 | 714.5 | 5 |
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 6.15 | 6.15 | 708.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.15 | 6.15 | 708.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 714.5 | nM | 6.15 | Binding affinity for rat benzodiazepine receptor inverse agonist site | 8667357 |
| GABA-A receptor; anion channel | IC50 | = | 715.0 | nM | 6.15 | In vitro potency measured against [3H]diazepam at the benzodiazepine receptor in... | 2167978 |
| GABA-A receptor; anion channel | IC50 | = | 714.5 | nM | 6.15 | Binding affinity towards benzodiazepine receptor inverse agonist site by the dis... | 8411009 |
| GABA-A receptor; anion channel | IC50 | = | 707.95 | nM | 6.15 | Inhibition on Benzodiazepine receptor | 9435905 |
| GABA-A receptor; anion channel | IC50 | = | 715.0 | nM | 6.15 | Inhibition of [3H]-diazepam binding to GABA-A benzodiazepine receptor of rat cer... | 3029372 |
| GABA-A receptor; anion channel | IC50 | = | 715.0 | nM | 6.15 | In vitro inhibition of 3[H]Diazepam binding to Benzodiazepine receptor from rat ... | 2167977 |
| Unchecked | IC50 | = | 707.95 | nM | 6.15 | 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 |
| 2167978 | 10.1021/jm00171a015 | 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 |
| 3029372 | 10.1021/jm00386a003 | 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