Compound Detail
CHEMBL428568
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Basic Information
| ChEMBL ID | CHEMBL428568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISHVJVXYPLFKAL-AZUAARDMSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
284.4
MW (Da)
5.48
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.67
QED
1
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.4
IC50 1 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV CHEMBL4303836 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Influenza A virus CHEMBL613740 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV | EC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against SARS coronavirus in Vero E6 cells assessed as inhibit... | 17663539 |
| Influenza A virus | IC50 | = | 4800.0 | nM | 5.32 | Antiviral activity against Influenza A virus (A/Viet nam/1203/2004 (H5N1)) infec... | 20961093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17663539 | 10.1021/jm070295s | SARS-CoV | 5 |
| 10869208 | 10.1021/np0000217 | Unchecked | 4 |
| 17663539 | 10.1021/jm070295s | Vero | 1 |
| 17663539 | 10.1021/jm070295s | Unchecked | 1 |
| 10869208 | 10.1021/np0000217 | Raji | 1 |
| 19193025 | 10.1021/np800721f | Mycobacterium tuberculosis | 1 |
| 20961093 | 10.1021/np100583u | Influenza A virus | 1 |
| 20961093 | 10.1021/np100583u | A2780 | 1 |
| 20961093 | 10.1021/np100583u | HCT-8 | 1 |
| 20961093 | 10.1021/np100583u | Bel-7402 | 1 |
| 20961093 | 10.1021/np100583u | BGC-823 | 1 |
| 20961093 | 10.1021/np100583u | A549 | 1 |
Data from ChEMBL 36 via Core Engine