Bioactive Compound Details
| BioID | bio2276 |
|---|---|
| Name | ORBOFIBAN ACETATE |
| ChEMBL ID | CHEMBL3989900 |
| Molecular Formula | C76H110N20O25 |
| Molecular Weight | 1703.83 |
| Molecular Weight (Monoisotopic) | 361.175 |
| Type | Small molecule |
| Max Phase | Unknown |
| Target ID | Tar12 |
| Target Name | Toll-like receptor 9 (TLR9) |
| Synonyms | ORBOFIBAN ACETATE|ORBOFIBAN ACETATE ANHYDROUS|SC-57099B |
| Smiles | CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O.CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O.CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O.CCOC(=O)CCNC(=O)N[C@H]1CCN(c2ccc(C(=N)N)cc2)C1=O.O |
| Inchi | InChI=1S/4C17H23N5O4.4C2H4O2.H2O/c4*1-2-26-14(23)7-9-20-17(25)21-13-8-10-22(16(13)24)12-5-3-11(4-6-12)15(18)19;4*1-2(3)4;/h4*3-6,13H,2,7-10H2,1H3,(H3,18,19)(H2,20,21,25);4*1H3,(H,3,4);1H2/t4*13-;;;;;/m0000...../s1 |
| Inchi Key | SVMJTTTTYFMATC-QSGPNNMYSA-N |
| Molecular Species | BASE |
| Targets | None |
| Bioactivities | None |
| Np Likeness Score | -1.22 |
| Records Key | ['ORBOFIBAN ACETATE'] |
| Records Name | ['ORBOFIBAN ACETATE'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
