| BioID | bio2447 |
|---|
| Name | ALADORIAN |
|---|
| ChEMBL ID | CHEMBL2104951 |
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| Molecular Formula | C12H13NO4S |
|---|
| Molecular Weight | 267.31 |
|---|
| Molecular Weight (Monoisotopic) | 267.0565 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
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| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | ALADORIAN|ARM-036|ARM036|S-44121-1|S-441211|S44121-1 |
|---|
| Smiles | COc1ccc2c(c1)CN(C(=O)C(=O)O)CCS2 |
|---|
| Inchi | InChI=1S/C12H13NO4S/c1-17-9-2-3-10-8(6-9)7-13(4-5-18-10)11(14)12(15)16/h2-3,6H,4-5,7H2,1H3,(H,15,16) |
|---|
| Inchi Key | FPWBHFYYVSNIFZ-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 10.0 |
|---|
| Bioactivities | 25.0 |
|---|
| Np Likeness Score | -0.94 |
|---|
| Records Key | ['ARM036; S36', 'ALADORIAN', 'S36'] |
|---|
| Records Name | ['2-(7-methoxy-2,3-dihydrobenzo[f][1,4]thiazepin-4(5H)-yl)-2-oxoacetic acid', 'ALADORIAN', '2-(7-methoxy-2,3-dihydrobenzo[f][1,4]thiazepin-4(5H)-yl)-2-oxoacetic acid'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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