Bioactive Compound Details
| BioID | bio2202 |
|---|---|
| Name | 9-N-ETHYLMANZAMINE A |
| ChEMBL ID | CHEMBL592629 |
| Molecular Formula | C38H48N4O |
| Molecular Weight | 576.83 |
| Molecular Weight (Monoisotopic) | 576.3828 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | None |
| Smiles | CCn1c2ccccc2c2ccnc(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/C38H48N4O/c1-2-41-33-17-11-10-16-29(33)30-18-21-39-34(35(30)41)31-26-38(43)20-12-6-3-4-7-13-22-40-24-19-32(31)37(27-40)25-28-15-9-5-8-14-23-42(28)36(37)38/h3,6,9-11,15-18,21,26,28,32,36,43H,2,4-5,7-8,12-14,19-20,22-25,27H2,1H3/b6-3-,15-9-/t28-,32-,36+,37-,38-/m0/s1 |
| Inchi Key | HPLZUCRTJYQHAL-GVVFRIJMSA-N |
| Molecular Species | BASE |
| Targets | 7.0 |
| Bioactivities | 12.0 |
| Np Likeness Score | 1.78 |
| Records Key | ['6b', '11'] |
| Records Name | ['9-N-ethylmanzamine A', '9-N-ethylmanzamine A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
