Compound Detail
CHEMBL2153299
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Basic Information
| ChEMBL ID | CHEMBL2153299 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DOUFIIRVXZJOII-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
457.0
MW (Da)
6.00
ALogP
5
HBA
1
HBD
61.2
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.85 | 6.555 | 140.0 | 2 |
| HT-22 CHEMBL614316 | EC50 | 5.17 | 5.17 | 6840.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 140.0 | nM | 6.85 | Antiprion activity against mouse prion protein 22L infected mouse N167 cells ass... | 21531054 |
| NON-PROTEIN TARGET | EC50 | = | 550.0 | nM | 6.26 | Antiprion activity against mouse prion protein RML infected mouse ScN2a cells as... | 21531054 |
| HT-22 | EC50 | = | 6840.0 | nM | 5.17 | Cytotoxicity against mouse HT22 cells after 24 hrs by MTT assay | 24602904 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21531054 | 10.1016/j.ejmech.2011.04.016 | NON-PROTEIN TARGET | 6 |
| 24602904 | 10.1016/j.bmcl.2014.02.006 | HT-22 | 2 |
| 21531054 | 10.1016/j.ejmech.2011.04.016 | N2a | 1 |
| 21531054 | 10.1016/j.ejmech.2011.04.016 | Major prion protein | 1 |
| 21531054 | 10.1016/j.ejmech.2011.04.016 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine