| BioID | bio2692 |
|---|
| Name | ENRASENTAN |
|---|
| ChEMBL ID | CHEMBL431651 |
|---|
| Molecular Formula | C29H30O8 |
|---|
| Molecular Weight | 506.55 |
|---|
| Molecular Weight (Monoisotopic) | 506.1941 |
|---|
| 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 | Enrasentan|SB-217242 |
|---|
| Smiles | CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCO)[C@H](C(=O)O)[C@H]2c1ccc2c(c1)OCO2 |
|---|
| Inchi | InChI=1S/C29H30O8/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28,30H,3,10-12,16H2,1-2H3,(H,31,32)/t26-,27+,28+/m0/s1 |
|---|
| Inchi Key | GLCKXJLCYIJMRB-UPRLRBBYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 5.0 |
|---|
| Bioactivities | 9.0 |
|---|
| Np Likeness Score | 0.24 |
|---|
| Records Key | ['25', '19, SB-217242', 'ENRASENTAN', 'ENRASENTAN'] |
|---|
| Records Name | ['(1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-[2-(2-hydroxy-ethoxy)-4-methoxy-phenyl]-5-propoxy-indan-2-carboxylic acid', '(1S,2R,3S)-1-Benzo[1,3]dioxol-5-yl-3-[2-(2-hydroxy-ethoxy)-4-methoxy-phenyl]-5-propoxy-indan-2-carboxylic acid', 'ENRASENTAN', 'ENRASENTAN'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
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