Bioactive Compound Details
| BioID | bio2408 |
|---|---|
| Name | KUTZNERIDE 9 |
| ChEMBL ID | CHEMBL503540 |
| Molecular Formula | C37H47Cl2N7O12 |
| Molecular Weight | 852.73 |
| Molecular Weight (Monoisotopic) | 851.266 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | Kutzneride 9 |
| Smiles | COC[C@@H]1NC(=O)[C@@H]2CCC=NN2C(=O)[C@H](C(C)(C)C)OC(=O)[C@@H](C2(C)CC2)NC(=O)[C@@H]2C[C@@]3(O)c4ccc(Cl)c(Cl)c4N[C@H]3N2C(=O)[C@@H]([C@@H](O)CC(=O)O)NC1=O |
| Inchi | InChI=1S/C37H47Cl2N7O12/c1-35(2,3)27-32(54)46-19(7-6-12-40-46)29(51)41-18(15-57-5)28(50)42-25(21(47)13-22(48)49)31(53)45-20(30(52)44-26(33(55)58-27)36(4)10-11-36)14-37(56)16-8-9-17(38)23(39)24(16)43-34(37)45/h8-9,12,18-21,25-27,34,43,47,56H,6-7,10-11,13-15H2,1-5H3,(H,41,51)(H,42,50)(H,44,52)(H,48,49)/t18-,19-,20-,21-,25+,26-,27+,34-,37+/m0/s1 |
| Inchi Key | IURQCOHKGOZHQD-DGKNJCPKSA-N |
| Molecular Species | ACID |
| Targets | 4.0 |
| Bioactivities | 4.0 |
| Np Likeness Score | 1.06 |
| Records Key | ['kutzneride 9'] |
| Records Name | ['kutzneride 9'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
