Compound Detail
CHEMBL419842
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Basic Information
| ChEMBL ID | CHEMBL419842 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NIGBHOQIDCGKDE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
429.4
MW (Da)
3.03
ALogP
6
HBA
1
HBD
71.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 9.1 | 9.1 | 0.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 0.8 | nM | 9.1 | In vitro affinity for BZD site on GABA-A receptor from rat cerebral cortex using... | 12161138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12161138 | 10.1016/s0960-894x(02)00463-8 | Mus musculus | 7 |
| 12161138 | 10.1016/s0960-894x(02)00463-8 | Rattus norvegicus | 5 |
| 12161138 | 10.1016/s0960-894x(02)00463-8 | GABA-A receptor; anion channel | 3 |
Data from ChEMBL 36 via Core Engine