Bioactive Compound Details

BioIDbio200401
NameCAPREOMYCIN SULFATE
ChEMBL IDCHEMBL2218913
Molecular FormulaC50H92N28O23S2
Molecular Weight1517.59
Molecular Weight (Monoisotopic)1320.6984
TypeProtein
Max PhasePhase 4
Target IDTar81
Target NameNone
Synonyms34977|CAPASTAT SULFATE|CAPASTAT SULPHATE|CAPREOMYCIN DISULFATE|CAPREOMYCIN SULFATE|CAPREOMYCIN SULPHATE|CAPREOMYCIN, SULFATE (1:2) (SALT)|CAPREOMYCIN, SULFATE (SALT)|CAPREOMYCINI SULFAS|NSC-755904|OGOSTAL
SmilesC[C@@H]1NC(=O)[C@@H](N)CNC(=O)[C@H](C2CCNC(=N)N2)NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC1=O.N=C1NCCC([C@@H]2NC(=O)/C(=C/NC(N)=O)NC(=O)[C@H](CNC(=O)CC(N)CCCN)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CNC2=O)N1.O=S(=O)(O)O.O=S(=O)(O)O
InchiInChI=1S/C25H44N14O8.C25H44N14O7.2H2O4S/c26-4-1-2-11(27)6-17(41)32-8-14-20(43)35-15(9-34-25(30)47)21(44)39-18(13-3-5-31-24(29)38-13)23(46)33-7-12(28)19(42)37-16(10-40)22(45)36-14;1-11-19(41)36-15(9-32-17(40)7-12(27)3-2-5-26)21(43)37-16(10-34-25(30)46)22(44)39-18(14-4-6-31-24(29)38-14)23(45)33-8-13(28)20(42)35-11;2*1-5(2,3)4/h9,11-14,16,18,40H,1-8,10,26-28H2,(H,32,41)(H,33,46)(H,35,43)(H,36,45)(H,37,42)(H,39,44)(H3,29,31,38)(H3,30,34,47);10-15,18H,2-9,26-28H2,1H3,(H,32,40)(H,33,45)(H,35,42)(H,36,41)(H,37,43)(H,39,44)(H3,29,31,38)(H3,30,34,46);2*(H2,1,2,3,4)/b15-9-;16-10-;;/t11?,12-,13?,14-,16-,18-;11-,12?,13-,14?,15-,18-;;/m00../s1
Inchi KeyTUATYNXRYJTQTQ-BVRBKCERSA-N
Molecular SpeciesNone
Targets6.0
Bioactivities9.0
Np Likeness ScoreNone
Records Key['Capreomycin Sulfate', 'CAPREOMYCIN SULFATE', 'Capreomycin (sulfate)', 'CAPREOMYCIN SULFATE', 'CAPREOMYCIN (SULFATE)', 'Capreomycin (sulfate)', 'CAPREOMYCIN SULFATE', 'Capreomycin (sulfate)']
Records Name['Capreomycin Sulfate', 'CAPREOMYCIN SULFATE', 'Capreomycin (sulfate)', 'CAPREOMYCIN SULFATE', 'CAPREOMYCIN (SULFATE)', 'Capreomycin (sulfate)', 'CAPREOMYCIN SULFATE', 'Capreomycin (sulfate)']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure