Bioactive Compound Details
| BioID | bio198751 |
|---|---|
| Name | None |
| ChEMBL ID | CHEMBL1288867 |
| Molecular Formula | C37H65N7O16 |
| Molecular Weight | 863.96 |
| Molecular Weight (Monoisotopic) | 863.4488 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar81 |
| Target Name | None |
| Synonyms | 2'-O-(Phenethylamino)Ethyl Paromomycin |
| Smiles | NCC[C@@H](O)C(=O)N[C@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@@H](CN)[C@@H](O)[C@H](O)[C@H]3N)[C@H]2OCCNCCc2ccccc2)[C@H]1O |
| Inchi | InChI=1S/C37H65N7O16/c38-8-6-19(47)34(53)44-18-12-17(40)30(58-36-24(42)29(52)27(50)21(14-45)56-36)32(25(18)48)60-37-33(54-11-10-43-9-7-16-4-2-1-3-5-16)31(22(15-46)57-37)59-35-23(41)28(51)26(49)20(13-39)55-35/h1-5,17-33,35-37,43,45-52H,6-15,38-42H2,(H,44,53)/t17-,18-,19+,20-,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32-,33+,35+,36+,37+/m0/s1 |
| Inchi Key | KITFYJSEQIOMTC-ABEUIYJBSA-N |
| Molecular Species | BASE |
| Targets | 5.0 |
| Bioactivities | 23.0 |
| Np Likeness Score | 0.9 |
| Records Key | ['15'] |
| Records Name | [2''-O-(phenethylamino)ethyl paromomycin"]" |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
