Compound Detail
CHEMBL74013
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Basic Information
| ChEMBL ID | CHEMBL74013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYXJGSDRJBZNPX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
2.50
ALogP
4
HBA
3
HBD
83.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | Ki | 6.37 | 6.37 | 430.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | Ki | = | 430.0 | nM | 6.37 | Inhibition of [3H]-Ro- 15-1788 binding to GABA-A benzodiazepine receptor of bovi... | 9748357 |
| GABA-A receptor; anion channel | Ki | = | 430.0 | nM | 6.37 | Inhibition of [3H]- flumazenil binding to benzodiazepine receptor in bovine brai... | 11428922 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9748357 | 10.1021/jm9800301 | GABA-A receptor; anion channel | 3 |
| 11428922 | 10.1021/jm010827j | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine