Compound Detail
CHEMBL447911
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Basic Information
| ChEMBL ID | CHEMBL447911 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WLDWDRZITJEWRJ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1170792 |
| Active Moiety | CHEMBL1170792 |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
151.2
MW (Da)
1.77
ALogP
1
HBA
1
HBD
26.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.85
EC50 1 meas. best 5.55
Kd 1 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 5.63 | 5.63 | 2360.0 | 1 |
| H2N2 subtype CHEMBL612765 | EC50 | 5.55 | 5.55 | 2800.0 | 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 |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 2360.0 | nM | 5.63 | Binding affinity to influenza A virus A/chicken/Germany/27 H7N7 weybridge strain... | 18947998 |
| H2N2 subtype | EC50 | = | 2800.0 | nM | 5.55 | Antiviral activity against influenza A virus A/Japan/305/57 H2N2 in MDCK cells a... | 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 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 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 B virus | 1 |
| 18947998 | 10.1016/j.bmcl.2008.10.003 | MDCK | 1 |
| - | 10.6019/CHEMBL4513161 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513161 | Cryptococcus neoformans | 1 |
| - | 10.6019/CHEMBL4513161 | Escherichia coli | 1 |
| - | 10.6019/CHEMBL4513161 | Klebsiella pneumoniae | 1 |
| - | 10.6019/CHEMBL4513161 | Acinetobacter baumannii | 1 |
| - | 10.6019/CHEMBL4513161 | Staphylococcus aureus | 1 |
| - | 10.6019/CHEMBL4513161 | Erythrocyte | 1 |
| - | 10.6019/CHEMBL4513161 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine