Compound Detail
CHEMBL448492
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Basic Information
| ChEMBL ID | CHEMBL448492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEXRTHHYHCFLQP-ONEGZZNKSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
249.7
MW (Da)
2.95
ALogP
4
HBA
0
HBD
52.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.361e-06 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 140.0 | nM | 6.85 | Inhibition of hepatitis A virus 3C proteinase by microplate assay | 18407505 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18407505 | 10.1016/j.bmc.2008.03.059 | Unchecked | 7 |
| 18407505 | 10.1016/j.bmc.2008.03.059 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine