Compound Detail
CHEMBL461713
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Basic Information
| ChEMBL ID | CHEMBL461713 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZCGXILNOXYREX-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
357.9
MW (Da)
4.80
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 7.68 | 6.92 | 21.0 | 2 |
| HT-22 CHEMBL614316 | EC50 | 5.17 | 5.17 | 6720.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 21.0 | nM | 7.68 | Antiprion activity against scrapie prion protein RML infected mouse ScN2a cells ... | 18556207 |
| NON-PROTEIN TARGET | EC50 | = | 700.0 | nM | 6.16 | Antiprion activity against scrapie prion protein RML infected mouse Ch2 cells as... | 18556207 |
| HT-22 | EC50 | = | 6720.0 | nM | 5.17 | Cytotoxicity against mouse HT22 cells after 24 hrs by MTT assay | 24602904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18556207 | 10.1016/j.bmc.2008.05.060 | NON-PROTEIN TARGET | 5 |
| 24602904 | 10.1016/j.bmcl.2014.02.006 | HT-22 | 2 |
| 18556207 | 10.1016/j.bmc.2008.05.060 | ScN2a | 1 |
| 21531054 | 10.1016/j.ejmech.2011.04.016 | Major prion protein | 1 |
| 21531054 | 10.1016/j.ejmech.2011.04.016 | ADMET | 1 |
| 24602904 | 10.1016/j.bmcl.2014.02.006 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine