Bioactive Compound Details
| BioID | bio2506 |
|---|---|
| Name | 9-N-ISOPENTYLMANZAMINE A |
| ChEMBL ID | CHEMBL578725 |
| 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)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/C41H54N4O/c1-30(2)19-26-45-36-17-11-10-16-32(36)33-18-22-42-37(38(33)45)34-28-41(46)21-12-6-3-4-7-13-23-43-25-20-35(34)40(29-43)27-31-15-9-5-8-14-24-44(31)39(40)41/h3,6,9-11,15-18,22,28,30-31,35,39,46H,4-5,7-8,12-14,19-21,23-27,29H2,1-2H3/b6-3-,15-9-/t31-,35-,39+,40-,41-/m0/s1 |
| Inchi Key | OLLLGVXEVAGELM-CMYHPCPNSA-N |
| Molecular Species | BASE |
| Targets | 7.0 |
| Bioactivities | 10.0 |
| Np Likeness Score | 1.65 |
| Records Key | ['6f'] |
| Records Name | ['9-N-isopentylmanzamine A'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
