Bioactive Compound Details
| BioID | bio1957 |
|---|---|
| Name | DANUGLIPRON TROMETHAMINE |
| ChEMBL ID | CHEMBL4650218 |
| Molecular Formula | C35H41FN6O7 |
| Molecular Weight | 676.75 |
| Molecular Weight (Monoisotopic) | 555.2282 |
| Type | Small molecule |
| Max Phase | Phase 1 |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | DANUGLIPRON TROMETHAMINE|PF-06882961 tromethamine|PF-06882961-82 |
| Smiles | N#Cc1ccc(COc2cccc(C3CCN(Cc4nc5ccc(C(=O)O)cc5n4C[C@@H]4CCO4)CC3)n2)c(F)c1.NC(CO)(CO)CO |
| Inchi | InChI=1S/C31H30FN5O4.C4H11NO3/c32-25-14-20(16-33)4-5-23(25)19-41-30-3-1-2-26(35-30)21-8-11-36(12-9-21)18-29-34-27-7-6-22(31(38)39)15-28(27)37(29)17-24-10-13-40-24;5-4(1-6,2-7)3-8/h1-7,14-15,21,24H,8-13,17-19H2,(H,38,39);6-8H,1-3,5H2/t24-;/m0./s1 |
| Inchi Key | JEJPAGACGZQFHN-JIDHJSLPSA-N |
| Molecular Species | ACID |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.63 |
| Records Key | ['DANUGLIPRON TROMETHAMINE'] |
| Records Name | ['DANUGLIPRON TROMETHAMINE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
