Compound Detail
CHEMBL3781695
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Basic Information
| ChEMBL ID | CHEMBL3781695 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUUDDNYEBKIOOC-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
400.1
MW (Da)
3.98
ALogP
3
HBA
2
HBD
50.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Influenza B virus CHEMBL613129 | EC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Influenza A virus CHEMBL613740 | EC50 | 5.64 | 5.475 | 2300.0 | 2 |
| Enterovirus A71 CHEMBL612436 | EC50 | 5.58 | 5.53 | 2630.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Influenza B virus | EC50 | = | 1900.0 | nM | 5.72 | Antiviral activity against Influenza B virus (B/Lee/1940) H1N1 infected in dog M... | 35212527 |
| Influenza A virus | EC50 | = | 2300.0 | nM | 5.64 | Antiviral activity against influenza A virus H5N1 infected in dog MDCK cells ass... | 35212527 |
| Enterovirus A71 | EC50 | = | 2630.0 | nM | 5.58 | Antiviral activity against Enterovirus 71 infected in human RD cells after 24 to... | 26885567 |
| Enterovirus A71 | EC50 | = | 3320.0 | nM | 5.48 | Antiviral activity against Human enterovirus 71 infected in monkey African green... | 26885567 |
| Influenza A virus | EC50 | = | 4900.0 | nM | 5.31 | Antiviral activity against Influenza A virus (A/PR/8/34) H1N1 infected in dog MD... | 35212527 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26885567 | 10.1021/acs.jmedchem.5b01803 | Enterovirus A71 | 2 |
| 26885567 | 10.1021/acs.jmedchem.5b01803 | Unchecked | 2 |
| 35212527 | 10.1021/acs.jmedchem.1c01257 | Influenza A virus | 2 |
| 26885567 | 10.1021/acs.jmedchem.5b01803 | RD | 1 |
| 26885567 | 10.1021/acs.jmedchem.5b01803 | Vero | 1 |
| 35212527 | 10.1021/acs.jmedchem.1c01257 | MDCK | 1 |
| 35212527 | 10.1021/acs.jmedchem.1c01257 | ADMET | 1 |
| 35212527 | 10.1021/acs.jmedchem.1c01257 | Influenza B virus | 1 |
Data from ChEMBL 36 via Core Engine