Compound Detail
CHEMBL353967
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Basic Information
| ChEMBL ID | CHEMBL353967 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QGPYDBWEJDHSAF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
3.10
ALogP
2
HBA
2
HBD
40.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 6.34 | 6.34 | 460.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 460.0 | nM | 6.34 | Inhibition of [3H]- flunitrazepam binding to GABA-A Benzodiazepine receptor of r... | 2989520 |
| NON-PROTEIN TARGET | IC50 | = | 19000.0 | nM | 4.72 | Antitumor activity against human HeLaS3 cells after 24 to 72 hrs by MTT assay | 21194810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2989520 | 10.1021/jm00383a024 | GABA-A receptor; anion channel | 1 |
| 21194810 | 10.1016/j.ejmech.2010.11.044 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine