Compound Detail
CHEMBL1275674
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COc1ccc2nc3cc(Cl)ccc3c(NCCCNC3=CC(=O)C(NCCCNc4c5ccc(Cl)cc5nc5ccc(OC)cc45)=CC3=O)c2c1
Basic Information
| ChEMBL ID | CHEMBL1275674 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RKUQCAUKBQPUCD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
735.7
MW (Da)
7.82
ALogP
10
HBA
4
HBD
126.5
PSA (Ų)
0.05
QED
2
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.17 | 6.17 | 680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 680.0 | nM | 6.17 | Antiprion activity against scrapie prion protein-infected mouse ScGT1 cells asse... | 21047125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21047125 | 10.1021/jm100882t | NON-PROTEIN TARGET | 3 |
| 21047125 | 10.1021/jm100882t | ADMET | 2 |
| 21047125 | 10.1021/jm100882t | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine