Compound Detail
CHEMBL500891
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL500891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKOZWMQUOWYZAB-UHFFFAOYSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
166.3
MW (Da)
2.19
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.58
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.52
IC50 1 meas. best 4.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H2N2 subtype CHEMBL612765 | EC50 | 5.52 | 5.52 | 3000.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 4.97 | 4.97 | 10800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H2N2 subtype | EC50 | = | 3000.0 | nM | 5.52 | Antiviral activity against influenza A virus A/Japan/305/57 H2N2 in MDCK cells a... | 18947998 |
| Influenza A virus | EC50 | = | 10800.0 | nM | 4.97 | Antiviral activity against influenza A virus H3N2 X31(A/Hong kong/1/68 x A/Puert... | 18947998 |
| Unchecked | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of Influenza A Virus M2 proton channel expressed in Xenopus laevis oo... | 21691418 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Glutamate NMDA receptor | 2 |
| 21691418 | 10.1021/ml100297w | Unchecked | 2 |
| 21691418 | 10.1021/ml100297w | Matrix protein 2 | 2 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Unchecked | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | H2N2 subtype | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Influenza A virus | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | Influenza B virus | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | MDCK | 1 |
Data from ChEMBL 36 via Core Engine