Compound Detail
CHEMBL596082
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Basic Information
| ChEMBL ID | CHEMBL596082 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NNXPHSFVRRTOJM-OVZGEXIGSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
276.2
MW (Da)
0.90
ALogP
6
HBA
3
HBD
104.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.33 | 4.3 | 47000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 47000.0 | nM | 4.33 | Inhibition of human rhinovirus 3C protease | 25259514 |
| Unchecked | IC50 | = | 51800.0 | nM | 4.29 | Inhibition of human rhinovirus 3C protease incubated for 1 hr by solid phase flu... | 25259514 |
| Unchecked | IC50 | = | 53000.0 | nM | 4.28 | Inhibition of human rhinovirus 14 recombinant N-terminal GST-tagged protease 3c ... | 22763202 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22763202 | 10.1016/j.bmcl.2012.06.015 | Unchecked | 3 |
| 19783445 | 10.1016/j.bmc.2009.08.064 | DNA topoisomerase 2-alpha | 2 |
| 25259514 | 10.1016/j.ejmech.2014.09.063 | Unchecked | 2 |
| 19783445 | 10.1016/j.bmc.2009.08.064 | Nucleic Acid | 1 |
| 19783445 | 10.1016/j.bmc.2009.08.064 | Type II restriction enzyme XhoI | 1 |
| 19783445 | 10.1016/j.bmc.2009.08.064 | Saccharomyces cerevisiae | 1 |
Data from ChEMBL 36 via Core Engine