Bioactive Compound Details
| BioID | bio2037 |
|---|---|
| Name | 9-N-ETHYL-8-ETHOXY-MANZAMINE A |
| ChEMBL ID | CHEMBL403562 |
| Molecular Formula | C40H52N4O2 |
| Molecular Weight | 620.88 |
| Molecular Weight (Monoisotopic) | 620.409 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | None |
| Smiles | CCOc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CCC4[C@]4(C[C@@H]7/C=C\CCCCN7[C@H]45)C6)c3n(CC)c12 |
| Inchi | InChI=1S/C40H52N4O2/c1-3-43-36-30(17-15-18-34(36)46-4-2)31-19-22-41-35(37(31)43)32-27-40(45)21-12-8-5-6-9-13-23-42-25-20-33(32)39(28-42)26-29-16-11-7-10-14-24-44(29)38(39)40/h5,8,11,15-19,22,27,29,33,38,45H,3-4,6-7,9-10,12-14,20-21,23-26,28H2,1-2H3/b8-5-,16-11-/t29-,33?,38+,39-,40-/m0/s1 |
| Inchi Key | ZOZMQOQRAXCUJA-OGIDAHSQSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.64 |
| Records Key | ['5'] |
| Records Name | ['9-N-ethyl-8-ethoxy-manzamine A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
