| BioID | bio2838 |
|---|
| Name | APAZIQUONE |
|---|
| ChEMBL ID | CHEMBL73822 |
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| Molecular Formula | C15H16N2O4 |
|---|
| Molecular Weight | 288.3 |
|---|
| Molecular Weight (Monoisotopic) | 288.111 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 3 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | APAZICUONA|APAZIQUONE|EO-9|EO9|EOQUIN|NOR-701|NSC-382456|NSC-382459|QAPZOLA |
|---|
| Smiles | Cn1c(/C=C/CO)c(CO)c2c1C(=O)C=C(N1CC1)C2=O |
|---|
| Inchi | InChI=1S/C15H16N2O4/c1-16-10(3-2-6-18)9(8-19)13-14(16)12(20)7-11(15(13)21)17-4-5-17/h2-3,7,18-19H,4-6,8H2,1H3/b3-2+ |
|---|
| Inchi Key | MXPOCMVWFLDDLZ-NSCUHMNNSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 62.0 |
|---|
| Bioactivities | 74.0 |
|---|
| Np Likeness Score | 0.84 |
|---|
| Records Key | ['3', 'EO9', 'EO9', 'SID470867', 'APAZIQUONE', 'APAZIQUONE'] |
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| Records Name | ['5-Aziridin-1-yl-3-hydroxymethyl-2-((E)-3-hydroxy-propenyl)-1-methyl-1H-indole-4,7-dione', '5-Aziridin-1-yl-3-hydroxymethyl-2-((E)-3-hydroxy-propenyl)-1-methyl-1H-indole-4,7-dione', '(E)-5-(aziridin-1-yl)-3-(hydroxymethyl)-2-(3-hydroxyprop-1-enyl)-1-methyl-1H-indole-4,7-dione', 'SID470867', 'APAZIQUONE', 'APAZIQUONE'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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