Compound Detail
CHEMBL244778
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Basic Information
| ChEMBL ID | CHEMBL244778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SJWZAQBUFIDJQO-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
279.3
MW (Da)
2.17
ALogP
3
HBA
1
HBD
61.8
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.9 | 5.9 | 1260.0 | 1 |
| ScN2a CHEMBL613872 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 220.0 | nM | 6.66 | Hydroxy radical scavenging activity by ESR spin-trapping method | 17850126 |
| NON-PROTEIN TARGET | IC50 | = | 1260.0 | nM | 5.9 | Antiprion activity in F3 cells assessed as inhibition of protease-resistant prio... | 17850126 |
| ScN2a | IC50 | = | 2000.0 | nM | 5.7 | Antiprion activity in ScN2a cells assessed as inhibition of protease-resistant p... | 17850126 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17850126 | 10.1021/jm070688r | Unchecked | 3 |
| 17850126 | 10.1021/jm070688r | ScN2a | 2 |
| 17850126 | 10.1021/jm070688r | NON-PROTEIN TARGET | 1 |
| 17850126 | 10.1021/jm070688r | NB69 | 1 |
| 17850126 | 10.1021/jm070688r | ADMET | 1 |
Data from ChEMBL 36 via Core Engine