Compound Detail
CHEMBL4469987
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 | CHEMBL4469987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYUDDHSPJFCULQ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
370.3
MW (Da)
4.36
ALogP
5
HBA
3
HBD
92.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus B5 CHEMBL612467 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.4 | 7.4 | 40.0 | 3 |
| rhinovirus A2 CHEMBL612678 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Coxsackievirus B3 CHEMBL613554 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Human rhinovirus B48 | 31226653 |
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Human rhinovirus B42 | 31226653 |
| Unchecked | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Human rhinovirus A8 | 31226653 |
| Coxsackievirus B3 | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Coxsackievirus B3 | 31226653 |
| rhinovirus B5 | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Human rhinovirus B5 | 31226653 |
| rhinovirus A2 | IC50 | = | 40.0 | nM | 7.4 | Antiviral activity against Human rhinovirus A2 | 31226653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Unchecked | 3 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Coxsackievirus B3 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | rhinovirus B5 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | rhinovirus A2 | 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