Bioactive Compound Details
| BioID | bio139929 |
|---|---|
| Name | STREPTOMYCIN SULFATE |
| ChEMBL ID | CHEMBL3184791 |
| Molecular Formula | C42H84N14O36S3 |
| Molecular Weight | 1457.4 |
| Molecular Weight (Monoisotopic) | 581.2657 |
| Type | Small molecule |
| Max Phase | Phase 4 |
| Target ID | Tar102 |
| Target Name | None |
| Synonyms | AGRIMYCIN 17|AGRIMYCIN SULFATE|AMBISTRYN S|Agri-Strep|NSC-757316|STREPTOMYCIN (AS SULFATE)|STREPTOMYCIN SESQUISULFATE|STREPTOMYCIN SULFATE|STREPTOMYCIN SULFATE (2:3) (SALT)|STREPTOMYCIN SULPHATE|STREPTOMYCINI SULFAS|Streptorex|VETSTREP|Vetstrep |
| Smiles | CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.CN[C@@H]1[C@H](O[C@H]2[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O)[C@H]1O.O=S(=O)(O)O.O=S(=O)(O)O.O=S(=O)(O)O |
| Inchi | InChI=1S/2C21H39N7O12.3H2O4S/c2*1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35;3*1-5(2,3)4/h2*4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);3*(H2,1,2,3,4)/t2*5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;;;/m00.../s1 |
| Inchi Key | QTENRWWVYAAPBI-YCRXJPFRSA-N |
| Molecular Species | BASE |
| Targets | 15.0 |
| Bioactivities | 38.0 |
| Np Likeness Score | 1.77 |
| Records Key | ['Streptomycin', 'SID144205136', 'Streptomycin sulfate', 'Streptomycin sulfate', 'STREPTOMYCIN SULFATE', 'STREPTOMYCIN SULFATE', 'Streptomycin sulfate'] |
| Records Name | ['Streptomycin sesquisulfate', 'SID144205136', 'Streptomycin sulfate', 'Streptomycin sulfate', 'STREPTOMYCIN SULFATE', 'STREPTOMYCIN SULFATE', 'Streptomycin sulfate'] |
| Withdrawn Flag | False |
| Orphan | 0 |
Molecular Structure
