Compound Detail
CHEMBL80436
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL80436 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQOQDABVGWLROX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
399.4
MW (Da)
3.41
ALogP
5
HBA
1
HBD
61.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
| Unchecked CHEMBL612545 | IC50 | 10.0 | 10.0 | 0.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 0.1 | nM | 10.0 | In vitro affinity for BZD site on GABA-A receptor from rat cerebral cortex using... | 12161138 |
| Unchecked | IC50 | = | 0.1 | nM | 10.0 | Inhibition of GABA-A receptor benzodiazepine site (unknown origin) | - |
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 |
| - | 10.6019/CHEMBL4651402 | SARS-CoV-2 | 2 |
| - | 10.1007/s00044-010-9533-9 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine