Bioactive Compound Details
| BioID | bio2084 |
|---|---|
| Name | 9-N-NEOPENTYLMANZAMINE A |
| ChEMBL ID | CHEMBL578331 |
| Molecular Formula | C41H54N4O |
| Molecular Weight | 618.91 |
| Molecular Weight (Monoisotopic) | 618.4298 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | None |
| Smiles | CC(C)(C)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/C41H54N4O/c1-39(2,3)28-45-35-18-12-11-17-31(35)32-19-22-42-36(37(32)45)33-27-41(46)21-13-7-4-5-8-14-23-43-25-20-34(33)40(29-43)26-30-16-10-6-9-15-24-44(30)38(40)41/h4,7,10-12,16-19,22,27,30,34,38,46H,5-6,8-9,13-15,20-21,23-26,28-29H2,1-3H3/b7-4-,16-10-/t30-,34-,38+,40-,41-/m0/s1 |
| Inchi Key | LBARWLHFNPNTFV-CVIUFDFNSA-N |
| Molecular Species | BASE |
| Targets | 7.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 1.63 |
| Records Key | ['6g'] |
| Records Name | ['9-N-neopentylmanzamine A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
