| BioID | bio2537 |
|---|
| Name | LINETASTINE |
|---|
| ChEMBL ID | CHEMBL314338 |
|---|
| Molecular Formula | C35H40N2O6 |
|---|
| Molecular Weight | 584.71 |
|---|
| Molecular Weight (Monoisotopic) | 584.2886 |
|---|
| Type | Small molecule |
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| Max Phase | Phase 2 |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | LINAZOLAST|LINETASTINA|LINETASTINE|Linetastine |
|---|
| Smiles | CCOC(=O)Oc1ccc(/C=C/C=C/C(=O)NCCN2CCC(OC(c3ccccc3)c3ccccc3)CC2)cc1OC |
|---|
| Inchi | InChI=1S/C35H40N2O6/c1-3-41-35(39)43-31-19-18-27(26-32(31)40-2)12-10-11-17-33(38)36-22-25-37-23-20-30(21-24-37)42-34(28-13-6-4-7-14-28)29-15-8-5-9-16-29/h4-19,26,30,34H,3,20-25H2,1-2H3,(H,36,38)/b12-10+,17-11+ |
|---|
| Inchi Key | LUOUCHOLMUUZBO-SVSXJNCISA-N |
|---|
| Molecular Species | NEUTRAL |
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| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | -0.28 |
|---|
| Records Key | ['LINETASTINE', 'TMK 688'] |
|---|
| Records Name | ['LINETASTINE', 'Carbonic acid 4-{4-[2-(4-benzhydryloxy-piperidin-1-yl)-ethylcarbamoyl]-buta-1,3-dienyl}-2-methoxy-phenyl ester ethyl ester'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
