Bioactive Compound Details
| BioID | bio2245 |
|---|---|
| Name | 9-N-METHYL-8-METHOXY-MANZAMINE A |
| ChEMBL ID | CHEMBL267700 |
| Molecular Formula | C38H48N4O2 |
| Molecular Weight | 592.83 |
| Molecular Weight (Monoisotopic) | 592.3777 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | None |
| Smiles | COc1cccc2c3ccnc(C4=C[C@@]5(O)CC/C=C\CCCCN6CCC4[C@]4(C[C@@H]7/C=C\CCCCN7[C@H]45)C6)c3n(C)c12 |
| Inchi | InChI=1S/C38H48N4O2/c1-40-34-28(15-13-16-32(34)44-2)29-17-20-39-33(35(29)40)30-25-38(43)19-10-6-3-4-7-11-21-41-23-18-31(30)37(26-41)24-27-14-9-5-8-12-22-42(27)36(37)38/h3,6,9,13-17,20,25,27,31,36,43H,4-5,7-8,10-12,18-19,21-24,26H2,1-2H3/b6-3-,14-9-/t27-,31?,36+,37-,38-/m0/s1 |
| Inchi Key | LANFUCOONSVQMQ-MCMDJTBWSA-N |
| Molecular Species | BASE |
| Targets | 1.0 |
| Bioactivities | 2.0 |
| Np Likeness Score | 1.95 |
| Records Key | ['4'] |
| Records Name | ['9-N-methyl-8-methoxy-manzamine A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
