Compound Detail
CHEMBL4086772
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Basic Information
| ChEMBL ID | CHEMBL4086772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOBQRNOVLWTGGC-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
384.5
MW (Da)
4.32
ALogP
6
HBA
1
HBD
77.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 7.82 | 7.82 | 15.0 | 1 |
| Poliovirus 3 CHEMBL613557 | EC50 | 7.2 | 7.2 | 63.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 7.16 | 6.4533 | 70.0 | 3 |
| rhinovirus A21 CHEMBL612371 | EC50 | 7.11 | 7.11 | 78.0 | 1 |
| rhinovirus A16 CHEMBL613769 | EC50 | 6.64 | 6.64 | 230.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 15.0 | nM | 7.82 | Antiviral activity against Human rhinovirus A71 infected in human H1HeLa cells a... | 28581749 |
| Poliovirus 3 | EC50 | = | 63.0 | nM | 7.2 | Antiviral activity against Human poliovirus 3 infected in human HeLa cells asses... | 28581749 |
| rhinovirus B14 | EC50 | = | 70.0 | nM | 7.16 | Antiviral activity against Human rhinovirus B14 infected in human H1HeLa cells a... | 28581749 |
| rhinovirus A21 | EC50 | = | 78.0 | nM | 7.11 | Antiviral activity against Human rhinovirus A21 infected in human H1HeLa cells a... | 28581749 |
| rhinovirus A16 | EC50 | = | 230.0 | nM | 6.64 | Antiviral activity against Human rhinovirus A16 infected in human H1HeLa cells a... | 28581749 |
| rhinovirus B14 | EC50 | = | 264.0 | nM | 6.58 | Antiviral activity against Human rhinovirus B14 harboring VP1 A150V/E276K double... | 28581749 |
| rhinovirus B14 | EC50 | = | 2372.0 | nM | 5.62 | Antiviral activity against Human rhinovirus B14 harboring VP1 C199Y mutant infec... | 28581749 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28581749 | 10.1021/acs.jmedchem.7b00175 | rhinovirus B14 | 8 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | Unchecked | 6 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | rhinovirus A16 | 4 |
| 30034598 | 10.1021/acsmedchemlett.8b00134 | ADMET | 2 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | rhinovirus A21 | 1 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | H1-HeLa | 1 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | Poliovirus 3 | 1 |
| 28581749 | 10.1021/acs.jmedchem.7b00175 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine