Compound Detail
CHEMBL417982
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Basic Information
| ChEMBL ID | CHEMBL417982 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRZIXPOFRWIKDR-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
198.2
MW (Da)
2.16
ALogP
2
HBA
2
HBD
48.9
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 5.83
IC50 1 meas. best 5.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL1907607 | IC50 | 5.83 | 5.83 | 1470.0 | 1 |
| GABA-A receptor; anion channel CHEMBL1907607 | Ki | 5.83 | 5.83 | 1470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 1470.0 | nM | 5.83 | In vitro displacement of [3H]diazepam from GABA-A benzodiazepine receptor in rat... | 3031296 |
| GABA-A receptor; anion channel | Ki | = | 1470.0 | nM | 5.83 | In vitro inhibition of [3H]diazepam binding to benzodiazepine receptor in rat ce... | 6127411 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26235951 | 10.1016/j.bmcl.2015.07.058 | NON-PROTEIN TARGET | 3 |
| 6127411 | 10.1021/jm00351a015 | GABA-A receptor; anion channel | 2 |
| 3031296 | 10.1021/jm00387a033 | GABA-A receptor; anion channel | 1 |
| 6325688 | 10.1021/jm00371a002 | GABA-A receptor; anion channel | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | HL-60 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | A498 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | COLO 205 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | SK-OV-3 | 1 |
| 26235951 | 10.1016/j.bmcl.2015.07.058 | Detroit 551 | 1 |
Data from ChEMBL 36 via Core Engine