Compound Detail
CHEMBL515516
ARTEANNUIN B Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL515516 |
| Name | ARTEANNUIN B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QWQSMEDUZQDVLA-KPHNHPKPSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
248.3
MW (Da)
2.45
ALogP
3
HBA
0
HBD
38.8
PSA (Ų)
0.38
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.99
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.99 | 4.99 | 10280.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.33 | 4.33 | 47000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 10280.0 | nM | 4.99 | Antiviral activity against SARS-CoV-2 NVDBB-2220 infected in African green monke... | 37597436 |
| NON-PROTEIN TARGET | IC50 | = | 47000.0 | nM | 4.33 | Cytotoxicity against mouse EAC after 3 days by MTT assay | 8350087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8350087 | 10.1021/np50096a007 | NON-PROTEIN TARGET | 3 |
| 37597436 | 10.1016/j.ejmech.2023.115726 | SARS-CoV-2 | 1 |
Data from ChEMBL 36 via Core Engine