Compound Detail
CHEMBL170773
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Basic Information
| ChEMBL ID | CHEMBL170773 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBFCDJTXHXSTJK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
343.9
MW (Da)
4.41
ALogP
4
HBA
1
HBD
37.4
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.96 | 6.96 | 110.0 | 1 |
| HT-22 CHEMBL614316 | EC50 | 5.42 | 5.42 | 3760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 110.0 | nM | 6.96 | Antiprion activity against scrapie prion protein RML infected mouse ScN2a cells ... | 18556207 |
| HT-22 | EC50 | = | 3760.0 | nM | 5.42 | 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 | 3 |
| 24602904 | 10.1016/j.bmcl.2014.02.006 | HT-22 | 2 |
| 4009616 | 10.1021/jm00145a016 | Nucleic Acid | 1 |
| 4009616 | 10.1021/jm00145a016 | ADMET | 1 |
| 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