Bioactive Compound Details
| BioID | bio3164 |
|---|---|
| Name | ERTEBEREL |
| ChEMBL ID | CHEMBL278703 |
| Molecular Formula | C18H18O3 |
| Molecular Weight | 282.34 |
| Molecular Weight (Monoisotopic) | 282.1256 |
| Type | Small molecule |
| Max Phase | Phase 2 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ERTEBEREL|Erteberel|LY-500307|LY500307|SERBA-1 |
| Smiles | Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1 |
| Inchi | InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1 |
| Inchi Key | XIESSJVMWNJCGZ-VKJFTORMSA-N |
| Molecular Species | NEUTRAL |
| Targets | 9.0 |
| Bioactivities | 38.0 |
| Np Likeness Score | 1.4 |
| Records Key | ['ERTEBEREL', '1', '7a, SERBA-1', 'ERTEBEREL', '1a', 'ERTEBEREL', 'SID174007297', '1a', 'erteberel', 'Erteberel脢', 'erteberel', 'Erteberel脗', 'erteberel'] |
| Records Name | ['ERTEBEREL', '(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol', '(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol', 'ERTEBEREL', '(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol', 'ERTEBEREL', 'SID174007297', '(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol', 'erteberel', 'Erteberel脢', 'erteberel', 'Erteberel脗', 'erteberel'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
