Compound Detail
CHEMBL230440
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Basic Information
| ChEMBL ID | CHEMBL230440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GARTXQCLHOBWRN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
397.5
MW (Da)
6.95
ALogP
3
HBA
0
HBD
35.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| rhinovirus A2 CHEMBL612678 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| Coxsackievirus B3 CHEMBL613554 | IC50 | 5.87 | 5.87 | 1340.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| rhinovirus A2 | IC50 | = | 9.0 | nM | 8.05 | Antiviral activity against Human rhinovirus A2 | 31226653 |
| Coxsackievirus B3 | IC50 | = | 1340.0 | nM | 5.87 | Antiviral activity against Coxsackievirus B3 | 31226653 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17665898 | 10.1021/jm0704806 | rhinovirus A2 | 1 |
| 17665898 | 10.1021/jm0704806 | Unchecked | 1 |
| 17665898 | 10.1021/jm0704806 | HeLa | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | rhinovirus A2 | 1 |
| 31226653 | 10.1016/j.ejmech.2019.06.008 | Coxsackievirus B3 | 1 |
Data from ChEMBL 36 via Core Engine