Bioactive Compound Details
| BioID | bio2885 |
|---|---|
| Name | DERSIMELAGON PHOSPHATE |
| ChEMBL ID | CHEMBL4802244 |
| Molecular Formula | C36H48F4N3O9P |
| Molecular Weight | 773.76 |
| Molecular Weight (Monoisotopic) | 675.3295 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | DERSIMELAGON PHOSPHATE|DERSIMELAGON PHOSPHORIC ACID|MT-7117 phosphate |
| Smiles | COC[C@H]1CN(C(=O)[C@]2(F)CN(C3CCCC3)C[C@H]2c2ccc(OC)cc2)C[C@@H]1c1ccc(C(F)(F)F)cc1N1CCC(C(=O)O)CC1.O=P(O)(O)O |
| Inchi | InChI=1S/C36H45F4N3O5.H3O4P/c1-47-21-25-18-42(19-30(25)29-12-9-26(36(38,39)40)17-32(29)41-15-13-24(14-16-41)33(44)45)34(46)35(37)22-43(27-5-3-4-6-27)20-31(35)23-7-10-28(48-2)11-8-23;1-5(2,3)4/h7-12,17,24-25,27,30-31H,3-6,13-16,18-22H2,1-2H3,(H,44,45);(H3,1,2,3,4)/t25-,30+,31+,35+;/m1./s1 |
| Inchi Key | PICGAOGKGDTMCU-ZPNFXMDPSA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -0.26 |
| Records Key | ['DERSIMELAGON PHOSPHATE'] |
| Records Name | ['DERSIMELAGON PHOSPHATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
