Compound Detail
CHEMBL149545
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Basic Information
| ChEMBL ID | CHEMBL149545 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XAMVDLCXXPEEEG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
369.3
MW (Da)
2.29
ALogP
6
HBA
3
HBD
134.6
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | Ki | 7.89 | 7.89 | 12.9 | 1 |
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 7.89 | 7.89 | 13.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 13.0 | nM | 7.89 | In vitro inhibition of [3H]- flunitrazepam binding to GABA-A benzodiazepine rece... | 8978839 |
| GABA-A receptor; anion channel | Ki | = | 12.88 | nM | 7.89 | The compound was tested for benzodiazepine receptor inverse agonist activity | 10602702 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8978839 | 10.1021/jm960240i | GABA-A receptor; anion channel | 4 |
| 10602702 | 10.1021/jm9910728 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine