Bioactive Compound Details

BioIDbio3186
NameMIFEPRISTONE
ChEMBL IDCHEMBL1276308
Molecular FormulaC29H35NO2
Molecular Weight429.6
Molecular Weight (Monoisotopic)429.2668
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsKORLYM|MIFEGYNE|MIFEPREX|MIFEPRISTONA|MIFEPRISTONE|NSC-759862|RU 38486|RU 486|RU-38486|RU-486|RU486
SmilesCC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
InchiInChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Inchi KeyVKHAHZOOUSRJNA-GCNJZUOMSA-N
Molecular SpeciesNEUTRAL
Targets239.0
Bioactivities1670.0
Np Likeness Score1.23
Records Key['1, RU 486', 'mifepristone RU-38486 RU-486', 'RU-486 Mifepristone', 'Mif (Mifepristone)', '1 Mifepristone - RU-486', 'RU-486 Mifepristone', '39', 'RU-486 Mifepristone', 'RU-486 (Mifepristone)', 'RU-486 (Mifepristone)', '1', 'Mifepristone', 'Mifepristone', '1 RU-486 (Mifepristone)', '3', '10', 'RU-486 (Mifepristone)', 'MIF', '1', '7, RU-486', 'Mifepristone', '2', '2', '1', 'Mifepristone', 'RU-486', 'Mifepristone', 'Mifepristone (RU486)', '1, mifepristone', 'RU-486', '1, RU-486', 'Mifepristone RU-486', '1', 'NCGC00025179-02', 'RU-486 (Mifepristone)', 'RU-486', '1, mifepristone', 'Mifepristone', 'AU-486, mifepristone', 'Mifepristone', '3, mifepristone', '2', 'mifepristone', '1, RU-486', 'RU-486', 'Mifepristone', 'Mifepristone', 'RU-486', '75, mifepristone', 'RU-486', 'mifepristone, RU-486', 'mifepristone', 'RU486 0 micromolar', 'mifepristone', 'MIFEPRISTONE', 'RU-486 (Mifepristone)', 'MIFEPRISTONE', 'Mifepristone', '5', 'SID50104863', '4, RU-486', 'Mifepristone', 'SID56424093', 'SID170465151', 'RU-486', 'RU-486', 'SID26752198', 'SID26752199', 'Mifepristone', 'Mifepristone', 'MIFEPRISTONE', 'RU486', 'SID174007148', '2658', 'Mifepristone', '1', 'Mifepristone', 'Mifepristone', '5', '1', 'Mifepristone', 'Mifepristone (RU486)', 'Mifepristone (RU486)', '3', '2', 'mifepristone', 'RU-486 (Mifepristone)', '1', 'SAM001246881', 'RU486 200 micromolar', '1', 'Mifepristone', 'Mifepristone', 'Mifepristone', '96', 'RU-486 (Mifepristone)', 'Mifepristone', '4 (Mifepristone)', 'RU-486', 'SID11533034', 'SID144212158', 'MIFEPRISTONE', 'SID144204503', 'SID90341299', 'RU486', '3, RU-486', 'Mifepristone', 'RU-486', '1, mifepristone,RU-486', 'MIFEPRISTONE', 'SID50104862', 'MIFEPRISTONE', 'MIFEPRISTONE', 'MIFEPRISTONE', 'mifepristone', 'Mifepristone', '1', '4, RU486', 'Mifepristone', '1', 'MIFEPRISTONE', '3; Mife; RU-486', 'mifepristone', 'Mifepristone', 'MIFEPRISTONE', 'Mif', 'MMV003297', 'SID50124354', 'MIFEPRISTONE', 'Mif', 'mifepristone', 'Mifepristone', 'Mifepristone', 'COVC-2289453140', 'Mifepristone', 'RU486', 'mifepristone', 'BA1000428']
Records Name['Mifepristone', '11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one (mifepristone)(RU 38486)', '(8S,11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '(11R,13S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '(8S,11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one (Mifepristone)', '(13S,17R)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-2-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '(11R,13S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '(8S,11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '(8S,11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '(2R,8S,13S,14S,17R)-2-(4-Dimethylamino-phenyl)-17-ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '(8S,11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', 'Mifepristone', '(8S,11R,13S,14S,17S)-11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '(11R,13S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-ynyl)-6,7,8,11,12,13,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one', 'mifepristone', '11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one (RU-486)', 'mifepristone', '11-(4-Dimethylamino-phenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one', '(8S,11R,13S,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-ynyl)-6,7,8,11,12,13,14,15,16,17-decahydro-1H-cycl
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure