| BioID | bio2469 |
|---|
| Name | ISBOGREL |
|---|
| ChEMBL ID | CHEMBL28196 |
|---|
| Molecular Formula | C18H19NO2 |
|---|
| Molecular Weight | 281.36 |
|---|
| Molecular Weight (Monoisotopic) | 281.1416 |
|---|
| 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 | ISBOGREL|Isbogrel |
|---|
| Smiles | O=C(O)CCCC/C=C(/c1ccccc1)c1cccnc1 |
|---|
| Inchi | InChI=1S/C18H19NO2/c20-18(21)12-6-2-5-11-17(15-8-3-1-4-9-15)16-10-7-13-19-14-16/h1,3-4,7-11,13-14H,2,5-6,12H2,(H,20,21)/b17-11- |
|---|
| Inchi Key | UWPBQLKEHGGKKD-BOPFTXTBSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 6.0 |
|---|
| Bioactivities | 16.0 |
|---|
| Np Likeness Score | 0.2 |
|---|
| Records Key | ['14l', 'Isbogrel', 'Isbogrel', 'ISBOGREL', '10c', 'COVC-0677842854'] |
|---|
| Records Name | ['7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid', '(Z)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid', '(Z)-7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid', 'ISBOGREL', '7-Phenyl-7-pyridin-3-yl-hept-6-enoic acid', 'ISBOGREL'] |
|---|
| Withdrawn Flag | False |
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| Orphan | 0 |
|---|
