Compound Detail
CHEMBL506171
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Basic Information
| ChEMBL ID | CHEMBL506171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DBLROCQCWNGYTM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
2.34
ALogP
4
HBA
1
HBD
72.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Genome polyprotein CHEMBL5296 | IC50 | 6.7 | 6.7 | 200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Genome polyprotein | IC50 | = | 200.0 | nM | 6.7 | Inhibition of HRV-16 protease 3C expressed in Escherichia coli BL21(DE3) by FRET... | 19464175 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19464175 | 10.1016/j.bmcl.2009.04.114 | Genome polyprotein | 2 |
Data from ChEMBL 36 via Core Engine