Bioactive Compound Details

BioIDbio139922
NameSTREPTOMYCIN SULFATE
ChEMBL IDCHEMBL453087
Molecular FormulaC21H41N7O16S
Molecular Weight679.66
Molecular Weight (Monoisotopic)581.2657
TypeSmall molecule
Max Phase--
Target IDTar102
Target NameNone
SynonymsAgri-Strep|STREPTOMYCIN SULFATE|Streptorex|Vetstrep
SmilesCN[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
InchiInChI=1S/C21H39N7O12.H2O4S/c1-5-21(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;1-5(2,3)4/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24,25,28);(H2,1,2,3,4)/t5-,6-,7+,8-,9-,10-,11+,12-,13-,14+,15+,16-,17-,18-,21+;/m0./s1
Inchi KeyCFCMMYICHMLDCC-RMIBZTJPSA-N
Molecular SpeciesBASE
Targets47.0
Bioactivities148.0
Np Likeness Score1.77
Records Key['18', 'streptomycin', 'streptomycin sulfate', 'streptomycin sulfate', 'sterptomycin sulphate', 'streptomycin sulphate', 'Streptomycin sulfate', 'streptomycin sulfate', 'streptomycin sulfate', 'streptomycin sulfate', 'Streptomycin sulfate', 'Streptomycin sulfate', 'streptomycin sulfate', 'streptomycinsulfate', 'Streptomycin sulfate', 'Streptomycin Sulfate', 'streptomycin sulfate', 'Streptomycin sulfate', 'S2', 'Streptomycin sulfate', 'Streptomycin sulfate', 'STREPTOMYCIN SULFATE', 'Streptomycin sulfate', 'Streptomycin sulfate', 'streptomycin sulfate', 'streptomycin', 'Streptomycin sulfate', 'Streptomycin Sulfate', 'STREPTOMYCIN SULFATE [5MM; 10% AQ DMSO + 5MM ETHANOLAMINE]', 'Streptomycin sulfate', 'streptomycin sulfate', 'STREPTOMYCIN SULFATE [5mM; 10% aq DMSO + 5mM ethanolamine]', 'STREPTOMYCIN SULFATE [5mM; 10% aq DMSO + 5mM ethanolamine]']
Records Name['N-{2-[3-(4,5-Dihydroxy-6-hydroxymethyl-3-methylamino-tetrahydro-pyran-2-yloxy)-4-formyl-4-hydroxy-5-methyl-tetrahydro-furan-2-yloxy]-5-guanidino-3,4,6-trihydroxy-cyclohexyl}-guanidine', 'streptomycin sulfate', 'streptomycin sulfate', 'streptomycin sulfate', 'sterptomycin sulphate', 'streptomycin sulphate', 'Streptomycin sulfate', 'streptomycin sulfate', 'streptomycin sulfate', 'streptomycin sulfate', 'Streptomycin sulfate', 'Streptomycin sulfate', 'streptomycin sulfate', 'streptomycinsulfate', 'Streptomycin sulfate', 'Streptomycin Sulfate', 'streptomycin sulfate', 'Streptomycin sulfate', 'streptomycin sulfate', 'Streptomycin sulfate', 'Streptomycin sulfate', 'STREPTOMYCIN SULFATE', 'Streptomycin sulfate', 'Streptomycin sulfate', 'streptomycin sulfate', 'streptomycin sulfate', 'Streptomycin sulfate', 'Streptomycin Sulfate', 'STREPTOMYCIN SULFATE [5MM; 10% AQ DMSO + 5MM ETHANOLAMINE]', 'Streptomycin sulfate', 'streptomycin sulfate', 'STREPTOMYCIN SULFATE [5mM; 10% aq DMSO + 5mM ethanolamine]', 'STREPTOMYCIN SULFATE [5mM; 10% aq DMSO + 5mM ethanolamine]']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure