Compound Detail
CHEMBL2385690
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Basic Information
| ChEMBL ID | CHEMBL2385690 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOYWIWVXJJPLGN-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
5.89
ALogP
5
HBA
0
HBD
37.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.92
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Quinolone resistance protein NorA CHEMBL5114 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| SARS-CoV-2 CHEMBL4303835 | EC50 | 4.92 | 4.92 | 11900.0 | 1 |
| Human coronavirus 229E CHEMBL613837 | EC50 | 4.21 | 4.21 | 61300.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.04 | 4.04 | 92300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Quinolone resistance protein NorA | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant as... | 23710549 |
| SARS-CoV-2 | EC50 | = | 11900.0 | nM | 4.92 | Antiviral activity against SARS-CoV-2 infected in eGFP expressing African green ... | 35571875 |
| Human coronavirus 229E | EC50 | = | 61300.0 | nM | 4.21 | Antiviral activity against HCoV-229E infected in HEL 299 cells assessed as reduc... | 35571875 |
| Unchecked | EC50 | = | 92300.0 | nM | 4.04 | Antiviral activity against HCoV-OC43 infected in HEL 299 cells assessed as reduc... | 35571875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23710549 | 10.1021/jm400262a | Staphylococcus aureus | 7 |
| 23710549 | 10.1021/jm400262a | Quinolone resistance protein NorA | 5 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | ADMET | 3 |
| 23710549 | 10.1021/jm400262a | Unchecked | 1 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | HEL 299 | 1 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | SARS-CoV-2 | 1 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | Vero C1008 | 1 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | Human coronavirus 229E | 1 |
| 35571875 | 10.1021/acsmedchemlett.2c00123 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine