| # | Name | Compound Key | Action Type | Relation | Activity Value | Units | Assay ID | Assay Description | Comment | Assay | Assay Organism | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1. |  YIL781 | 43 | pKa_B2 | 2.65 | ALA3301373 | "B2 Functional Group: Quinazolin-4(3H)-one; Ionisation Formula: A0B2 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)." | ||||||
| 2. | YIL781 | 43 | pKa_B1 | 0 | ALA3301362 | "B1 Functional Group: Piperidine; Ionisation Formula: A0B2 (Functional Group: the part of the molecule the pKa refers to; Ionisation formula: AxBy where 'A' refers to acidic centers within the molecule that are appreciably ionised at a pH <= 11 and 'x' equals 0, 1 or 2; and 'B' refers to basic centers within the molecule that are appreciably ionised at a pH >= 2 and 'y' equals 0, 1, 2 or 3)." | ||||||
| 3. | YIL781 | 43 | CLint | 10.47 | microL/min/1E6 cells | ALA3301371 | uL.min-1.(10^6cells)-1 | |||||
| 4. | YIL781 | 43 | LogD7.4 | 2.4 | ALA3301363 | |||||||
| 5. | YIL781 | 43 | CLint | 7.41 | microL/min/mg | ALA3301370 | mL.min-1.g-1 | |||||
| 6. | YIL781 | 43 | Inhibition | = | -8.76 | % | ALA4303805 | % | Severe acute respiratory syndrome coronavirus 2 | |||
| 7. | YIL781 | 43 | inhibition | = | 0.67 | % | ALA4808150 | % | Homo sapiens | |||
| 8. | YIL781 | 43 | inhibition | = | 7.87 | % | ALA4808149 | % | Homo sapiens | |||
| 9. | YIL781 | 43 | inhibition | = | -0.45 | % | ALA4513082 | % | Severe acute respiratory syndrome coronavirus 2 | |||
| 10. | YIL781 | 43 | inhibition | = | -0.45 | % | ALA4513082 | % | Severe acute respiratory syndrome coronavirus 2 | |||
| 11. | YIL781 | 43 | Inhibition | = | 9.631 | % | ALA4495582 | % | Severe acute respiratory syndrome coronavirus 2 | |||
| 12. | YIL781 | 43 | IC50 | = | 141 | nM | ALA1958784 | 6.85 | nM | |||
| 13. | YIL781 | 43 | pIC50 | = | 5.79 | ALA1958785 | 5.79 | nM | Homo sapiens | |||
| 14. | YIL781 | 43 | INH | > | 50 | % | ALA1958788 | % | Homo sapiens | |||
| 15. | YIL781 | 43 | INH | > | 50 | % | ALA1958787 | % | Homo sapiens | |||
| 16. | YIL781 | 43 | INH | > | 50 | % | ALA1958786 | % | Homo sapiens | |||
| 17. | YIL781 | 43 | IC50 | = | 1.6 | uM | ALA1958785 | 5.80 | nM | Homo sapiens | ||
| 18. | YIL781 | 43 | Ki | = | 4 | nM | ALA1958783 | 8.40 | nM | Homo sapiens | ||
| 19. | YIL781 | 43 | Activity | > | 1 | uM | ALA896855 | uM | ||||
| 20. | YIL781 | 43 | Activity | > | 1 | uM | ALA896854 | uM | Homo sapiens |
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