Bioactive Compound Details
| BioID | bio2201 |
|---|---|
| Name | 9-N-PROPYLMANZAMINE A |
| ChEMBL ID | CHEMBL592610 |
| Molecular Formula | C39H50N4O |
| Molecular Weight | 590.86 |
| Molecular Weight (Monoisotopic) | 590.3985 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | None |
| Smiles | CCCn1c2ccccc2c2ccnc(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/C39H50N4O/c1-2-22-43-34-17-11-10-16-30(34)31-18-21-40-35(36(31)43)32-27-39(44)20-12-6-3-4-7-13-23-41-25-19-33(32)38(28-41)26-29-15-9-5-8-14-24-42(29)37(38)39/h3,6,9-11,15-18,21,27,29,33,37,44H,2,4-5,7-8,12-14,19-20,22-26,28H2,1H3/b6-3-,15-9-/t29-,33-,37+,38-,39-/m0/s1 |
| Inchi Key | LXFFLYDBDKTURS-LMGVHCGDSA-N |
| Molecular Species | BASE |
| Targets | 7.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 1.68 |
| Records Key | ['6c'] |
| Records Name | ['9-N-propylmanzamine A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
