Compound Detail
CHEMBL1275680
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O=C1C=C(NCCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)C(=O)C=C1NCCCNc1c2c(nc3cc(Cl)ccc13)CCCC2
Basic Information
| ChEMBL ID | CHEMBL1275680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VPSQDBDHPJIPLE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
683.7
MW (Da)
7.25
ALogP
8
HBA
4
HBD
108.0
PSA (Ų)
0.09
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 170.0 | nM | 6.77 | 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