Bioactive Compound Details

BioIDbio200516
NameQUINIDINE SULFATE
ChEMBL IDCHEMBL3707183
Molecular FormulaC40H54N4O10S
Molecular Weight782.96
Molecular Weight (Monoisotopic)324.1838
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsAVP-786 COMPONENT QUINIDINE SULFATE|CIN-QUIN|NSC-10004|QUINICARDINE|QUINIDEX|QUINIDEX EXTENTABS|QUINIDINE SULFATE|QUINIDINE SULFATE ANHYDROUS|QUINIDINE SULFATE COMPONENT OF AVP-786|QUINIDINE SULFATE DIHYDRATE|QUINIDINE SULFATE HYDRATE|QUINIDINE SULPHATE|QUINIDINE SULPHATE ANHYDROUS|QUINIDINE SULPHATE DIHYDRATE|QUINIDINE, SULFATE (2:1) (SALT)|QUINIDINI SULFAS|QUINORA
SmilesC=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O.O.O=S(=O)(O)O
InchiInChI=1S/2C20H24N2O2.H2O4S.2H2O/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4;;/h2*3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;(H2,1,2,3,4);2*1H2/t2*13-,14-,19+,20-;;;/m00.../s1
Inchi KeyZHNFLHYOFXQIOW-AHSOWCEXSA-N
Molecular SpeciesBASE
Targets9.0
Bioactivities34.0
Np Likeness Score0.83
Records Key['QUINIDINE SULFATE', 'Quinidine (QS)', 'Quinidine sulfate', 'Quinidine sulfate', 'NCGC00094302-01', '7.(0.5 H2SO4)', 'QUINIDINE SULFATE', 'Quinidine sulfate', 'QUINIDINE SULFATE', 'Quinidine sulfate', 'Quinidine sulfate', 'QUINIDINE SULFATE']
Records Name['QUINIDINE SULFATE', '(S)-(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; sulfate', '2-[(R)-hydroxy-(7-methoxy-quinolin-4-yl)-methyl]-5-vinyl-1-azonia-bicyclo[2.2.2]octane', 'quinidine sulfate', 'Quinidine sulfate', 'Quinidine hemisulfate', 'QUINIDINE SULFATE', '(6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2.2.2]oct-2-yl)-methanol; compound with sulfuric acid', 'QUINIDINE SULFATE', 'Quinidine sulfate', 'Quinidine sulfate', 'QUINIDINE SULFATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure