Compound Detail
CHEMBL504264
AUREOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL504264 |
| Name | AUREOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYLGYRGJFUJKFM-PXNLJIHASA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
314.5
MW (Da)
5.33
ALogP
2
HBA
1
HBD
29.5
PSA (Ų)
0.70
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.4
IC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SARS-CoV-2 CHEMBL4303835 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Rhizoctonia solani CHEMBL613272 | EC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Nucleoside diphosphate phosphatase ENTPD5 CHEMBL4523151 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Sclerotinia sclerotiorum CHEMBL613280 | EC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SARS-CoV-2 | EC50 | = | 4000.0 | nM | 5.4 | Antiviral activity against SARS-CoV-2 isolate USA-WA1/2020 infected in Calu-3 ce... | 35290044 |
| Rhizoctonia solani | EC50 | = | 6900.0 | nM | 5.16 | Antifungal activity against Rhizoctonia solani | 38557062 |
| Nucleoside diphosphate phosphatase ENTPD5 | IC50 | = | 15000.0 | nM | 4.82 | Inhibition of human recombinant ENTPD5 expressed in insect cells assessed as red... | - |
| Sclerotinia sclerotiorum | EC50 | = | 19000.0 | nM | 4.72 | Antifungal activity against Sclerotinia sclerotiorum | 38557062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35290044 | 10.1021/acs.jnatprod.2c00015 | SARS-CoV-2 | 4 |
| 11975483 | 10.1021/np010471e | Mycobacterium tuberculosis | 3 |
| 8350092 | 10.1021/np50096a015 | A549 | 1 |
| 8350092 | 10.1021/np50096a015 | HT-29 | 1 |
| 8350092 | 10.1021/np50096a015 | P388 | 1 |
| 8350092 | 10.1021/np50096a015 | NON-PROTEIN TARGET | 1 |
| 8350092 | 10.1021/np50096a015 | Unchecked | 1 |
| 11975483 | 10.1021/np010471e | Plasmodium falciparum | 1 |
| 11975483 | 10.1021/np010471e | 5-hydroxytryptamine receptor 2A | 1 |
| 11975483 | 10.1021/np010471e | 5-hydroxytryptamine receptor 2C | 1 |
| 11975483 | 10.1021/np010471e | Unchecked | 1 |
| 11975483 | 10.1021/np010471e | Vero | 1 |
| 35290044 | 10.1021/acs.jnatprod.2c00015 | Calu-3 | 1 |
| 38557062 | 10.1021/acs.jnatprod.4c00037 | Rhizoctonia solani | 1 |
| 38557062 | 10.1021/acs.jnatprod.4c00037 | Sclerotinia sclerotiorum | 1 |
Data from ChEMBL 36 via Core Engine