Compound Detail
CHEMBL4216243
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Basic Information
| ChEMBL ID | CHEMBL4216243 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KYQPPTJIPCQWQJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
434.4
MW (Da)
4.83
ALogP
7
HBA
1
HBD
90.1
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| rhinovirus A21 CHEMBL612371 | EC50 | 6.0 | 6.0 | 990.0 | 1 |
| rhinovirus B14 CHEMBL613759 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 300.0 | nM | 6.52 | Antiviral activity against Human rhinovirus A71 infected in human H1HeLa cells a... | 30034598 |
| rhinovirus A21 | EC50 | = | 990.0 | nM | 6.0 | Antiviral activity against Human rhinovirus A21 infected in human H1HeLa cells a... | 30034598 |
| rhinovirus B14 | EC50 | = | 2000.0 | nM | 5.7 | Antiviral activity against Human rhinovirus B14 infected in human H1HeLa cells a... | 30034598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30034598 | 10.1021/acsmedchemlett.8b00134 | H1-HeLa | 1 |
| 30034598 | 10.1021/acsmedchemlett.8b00134 | rhinovirus B14 | 1 |
| 30034598 | 10.1021/acsmedchemlett.8b00134 | rhinovirus A21 | 1 |
| 30034598 | 10.1021/acsmedchemlett.8b00134 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine