Bioactive Compound Details
| BioID | bio2141 |
|---|---|
| Name | 9-N-METHYLMANZAMINE A |
| ChEMBL ID | CHEMBL592237 |
| Molecular Formula | C37H46N4O |
| Molecular Weight | 562.8 |
| Molecular Weight (Monoisotopic) | 562.3672 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | None |
| Smiles | Cn1c2ccccc2c2ccnc(C3=C[C@@]4(O)CC/C=C\CCCCN5CC[C@@H]3[C@]3(C[C@@H]6/C=C\CCCCN6[C@H]34)C5)c21 |
| Inchi | InChI=1S/C37H46N4O/c1-39-32-16-10-9-15-28(32)29-17-20-38-33(34(29)39)30-25-37(42)19-11-5-2-3-6-12-21-40-23-18-31(30)36(26-40)24-27-14-8-4-7-13-22-41(27)35(36)37/h2,5,8-10,14-17,20,25,27,31,35,42H,3-4,6-7,11-13,18-19,21-24,26H2,1H3/b5-2-,14-8-/t27-,31-,35+,36-,37-/m0/s1 |
| Inchi Key | ZNBAGMAUOGPTIP-LGQLGSHTSA-N |
| Molecular Species | BASE |
| Targets | 7.0 |
| Bioactivities | 12.0 |
| Np Likeness Score | 1.92 |
| Records Key | ['6a', '10'] |
| Records Name | ['9-N-methylmanzamine A', '9-N-methylmanzamine A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
