Compound Detail
CHEMBL186772
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Basic Information
| ChEMBL ID | CHEMBL186772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NFXAWQDTYKJJTD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
420.2
MW (Da)
4.96
ALogP
6
HBA
1
HBD
69.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-A receptor; anion channel CHEMBL2093872 | IC50 | 7.06 | 7.06 | 87.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-A receptor; anion channel | IC50 | = | 87.0 | nM | 7.06 | 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 | ADMET | 3 |
| 15341958 | 10.1016/j.bmcl.2004.07.033 | GABA-A receptor; anion channel | 2 |
Data from ChEMBL 36 via Core Engine