Bioactive Compound Details

BioIDbio200046
NameBROMOCRIPTINE
ChEMBL IDCHEMBL493
Molecular FormulaC32H40BrN5O5
Molecular Weight654.61
Molecular Weight (Monoisotopic)653.2213
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
Synonyms2-BROMO-.ALPHA.-ERGOCRYPTINE|BROMERGOCRYPTINE|BROMOCRIPTINA|BROMOCRIPTINE|Bromocriptine|CB-154|ERGOCRYPTINE, 2-BROMO-|PARLODEL|SANDOZ 15-754
SmilesCC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]c(Br)c(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12
InchiInChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1
Inchi KeyOZVBMTJYIDMWIL-AYFBDAFISA-N
Molecular SpeciesNEUTRAL
Targets214.0
Bioactivities626.0
Np Likeness Score1.29
Records Key['Bromocriptine', 'SID144204458', 'Bromocriptine', '119', 'bromocriptine', 'bromocriptine', 'Bromocriptine', 'bromocryptine', 'Bromocriptine', 'Bromocriptine', 'Bromocriptine', 'Bromocriptine', 'SID26755307', '5', 'bromocriptine', 'Bromocriptin', 'Bromocriptine', '014', 'Bromocriptine', 'SID90340796', 'Bromocriptine', 'Bromocriptine', 'SID26751716', 'bromocriptine', 'Bromocriptine', 'bromocriptine', 'Bromocriptine', 'bromocriptine', 'BROMOCRIPTINE', 'Bromocriptine', 'bromocriptine', 'BROMOCRIPTINE', 'Bromocriptine', 'Bromocriptine', '1, CB 154, bromocriptine', 'Bromocriptine', 'Bromocriptine', '51', 'BROMOCRIPTINE', 'Bromocriptine', '34', 'BROMOCRIPTINE', '3', 'Bromocriptine', 'BROMOCRIPTINE', '124', '44', 'BROMOCRIPTINE', 'Bromocriptine', 'BC', 'bromocriptine', '6', '25', 'BA1000577']
Records Name['5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide (Bromocriptine)', 'SID144204458', '5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide', 'Bromocriptine', '5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide', '5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide', '5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide (bromocriptine)', '5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide', 'Bromocriptine', '5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide', '(6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide', '(6aR,9R)-5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid ((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide', 'SID26755307', 'Bromocriptine', '5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide', 'Bromocriptin', 'Bromocriptine', 'bromocriptine', 'Bromocriptine', 'SID90340796', 'Bromocriptine', 'Bromocriptine', 'SID26751716', 'bromocriptine', 'Bromocriptine', 'bromocriptine', 'Bromocriptine', 'bromocriptine', 'BROMOCRIPTINE', 'Bromocriptine', '5-Bromo-7-methyl-4,6,6a,7,8,9-hexahydro-indolo[4,3-fg]quinoline-9-carboxylic acid (10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-octahydro-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl)-amide (Bromocriptine)', 'Bromocriptine', 'Bromocriptine', 'Bromocript
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure