Compound Detail
CHEMBL2112054
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Basic Information
| ChEMBL ID | CHEMBL2112054 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVGTVZGLPHBTJV-RLXJOQACSA-N |
| Parent Compound | CHEMBL128970 |
| Active Moiety | CHEMBL128970 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
367.2
MW (Da)
4.37
ALogP
5
HBA
1
HBD
67.6
PSA (Ų)
0.80
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 8.0 | nM | 8.1 | In vitro insecticidal activity as inhibition of [3H]EBOB binding to Gamma-aminob... | 15341958 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15341958 | 10.1016/j.bmcl.2004.07.033 | GABA-A receptor; anion channel | 1 |
Data from ChEMBL 36 via Core Engine