Compound Detail
CHEMBL321131
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Basic Information
| ChEMBL ID | CHEMBL321131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CFTBMTBRESYERO-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
310.7
MW (Da)
4.09
ALogP
4
HBA
0
HBD
48.0
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2094107 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.07 | 4.07 | 85000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 90.0 | nM | 7.05 | Inhibition of [3H]flunitrazepam binding to benzodiazepine receptor in bovine bra... | 2826782 |
| A549 | IC50 | = | 85000.0 | nM | 4.07 | Cytotoxicity against human A549 cells after 48 hrs by MTT assay | 23748152 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2826782 | 10.1021/jm00396a001 | GABA-A receptor; anion channel | 1 |
| 22795832 | 10.1016/j.ejmech.2012.06.028 | Unchecked | 1 |
| 23748152 | 10.1016/j.ejmech.2013.03.042 | HeLa | 1 |
| 23748152 | 10.1016/j.ejmech.2013.03.042 | A549 | 1 |
| 23748152 | 10.1016/j.ejmech.2013.03.042 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine