| BioID | bio2058 |
|---|
| Name | NANTRADOL |
|---|
| ChEMBL ID | CHEMBL2110953 |
|---|
| Molecular Formula | C27H35NO4 |
|---|
| Molecular Weight | 437.58 |
|---|
| Molecular Weight (Monoisotopic) | 437.2566 |
|---|
| Type | Small molecule |
|---|
| Max Phase | Unknown |
|---|
| Target ID | Tar12 |
|---|
| Target Name | Toll-like receptor 9 (TLR9) |
|---|
| Synonyms | NANTRADOL |
|---|
| Smiles | CC(=O)Oc1cc(OC(C)CCCc2ccccc2)cc2c1[C@@H]1C[C@H](O)CC[C@H]1[C@H](C)N2 |
|---|
| Inchi | InChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3/t17?,18-,21+,23-,24+/m0/s1 |
|---|
| Inchi Key | FFVXQGMUHIJQAO-KXUCESEGSA-N |
|---|
| Molecular Species | NEUTRAL |
|---|
| Targets | 2.0 |
|---|
| Bioactivities | 3.0 |
|---|
| Np Likeness Score | 0.96 |
|---|
| Records Key | ['7'] |
|---|
| Records Name | ['6-Methyl-3-(1-methyl-4-phenyl-butoxy)-5,6,6a,7,8,9,10,10a-octahydro-phenanthridine-1,9-diol ((-) nantradol)'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | 0 |
|---|
