Compound Detail
CHEMBL306370
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Basic Information
| ChEMBL ID | CHEMBL306370 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VDAHGXKTABYDOQ-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
338.4
MW (Da)
2.68
ALogP
4
HBA
2
HBD
80.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.03
EC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 7.03 | 7.03 | 93.3 | 1 |
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 7.03 | 7.03 | 94.0 | 3 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.28 | 6.28 | 520.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 94.0 | nM | 7.03 | In vitro inhibition of [3H]- flunitrazepam binding to GABA-A benzodiazepine rece... | 8978839 |
| GABA-A receptor; anion channel | Ki | = | 94.0 | nM | 7.03 | Inhibition of [3H]-Ro- 15-1788 binding to GABA-A benzodiazepine receptor of bovi... | 9748357 |
| GABA-A receptor; anion channel | Ki | = | 94.0 | nM | 7.03 | Inhibition of [3H]- flumazenil binding to benzodiazepine receptor in bovine brai... | 11428922 |
| GABA-A receptor; anion channel | Ki | = | 93.33 | nM | 7.03 | The compound was tested for benzodiazepine receptor inverse agonist activity | 10602702 |
| NON-PROTEIN TARGET | EC50 | = | 520.0 | nM | 6.28 | Antiprion activity against Scrapie prion protein-mediated scrapie in mouse SMB c... | 19842664 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978839 | 10.1021/jm960240i | GABA-A receptor; anion channel | 3 |
| 19842664 | 10.1021/jm900920x | NON-PROTEIN TARGET | 2 |
| 9748357 | 10.1021/jm9800301 | GABA-A receptor; anion channel | 1 |
| 11428922 | 10.1021/jm010827j | GABA-A receptor; anion channel | 1 |
| 10602702 | 10.1021/jm9910728 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine