Bioactive Compound Details

BioIDbio2891
NameCYTISINICLINE
ChEMBL IDCHEMBL497939
Molecular FormulaC11H14N2O
Molecular Weight190.25
Molecular Weight (Monoisotopic)190.1106
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms6039 Sopharma|BAPTITOXINE|CITISINICLINA|CYTISINE|CYTISINICLINE|CYTITON|NSC-407282|SOPHORINE|Tabex|ULEXINE
SmilesO=c1cccc2n1C[C@@H]1CNC[C@H]2C1
InchiInChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1
Inchi KeyANJTVLIZGCUXLD-DTWKUNHWSA-N
Molecular SpeciesBASE
Targets101.0
Bioactivities251.0
Np Likeness Score-0.21
Records Key['Cytisine', 'Cytisine', '144 (Cytisine)', '1', 'Cy', 'SID11112361', '4, (-)-cytisine', '1', 'SID11114058', 'Cytisine (1)', '5', '1, (-)-cytisine', '1', '39', 'cytisine', '3, Cyt', 'Cytisine', '21', '5', 'cytisine', 'Cytisine', '(-)-1', '(-)-Cytisine', '13', 'SID477069', '(-)-Cytisine', 'cytisine', 'cytisine', 'CYTISINICLINE', 'CYTISINICLINE', 'cytisine', '7', 'Cytisine table 3', 'Cytisin', '(-)-Cytisine', '2', 'SID26752181', '(-)-Cytisine', 'SID56463106', 'CYTISINE', 'Cytisine', '1, (-)-cytisine', '5', 'CYTISINE', 'cytisine', 'CYTISINICLINE', '(-)-Cytisine', 'cytisine', 'COVC-2824345121', 'cytisine', 'Cytisine', 'EUB0001928a']
Records Name['(1R,9S)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one', '1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one (cytisine)', 'Cytisine1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one', 'Cytisine', 'cytisine', 'SID11112361', '(-)-cytisine', '(-)-Cytisine', 'SID11114058', '1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one', '(1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one', '(-)-cytisine', 'cytisine', '1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one', 'cytisine', 'cytisine', '1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one', '(-)-cytisine', 'Cytisine', 'cytisine', 'Cytisine', '(-)-Cytisine', '(-)-Cytisine', 'Cytisine', 'SID477069', '(-)-Cytisine', 'cytisine', 'cytisine', 'CYTISINICLINE', 'CYTISINICLINE', '(1R,9R)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one', '1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one', '(1R,9S)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one', '1,2,3,4,5,6-Hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one', '(1S,9R)-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-6-one', 'Cytisine', 'SID26752181', '(-)-Cytisine', 'SID56463106', 'CYTISINE', 'Cytisine', '(1R,5S)-1,2,3,4,5,6-hexahydro-1,5-methano-8Hpyrido[1,2-a][1,5]diazocin-8-one', '(1R,5S)-Cytisine', 'CYTISINE', 'cytisine', 'CYTISINICLINE', '(-)-Cytisine', 'cytisine', 'CYTISINE', 'cytisine', 'Cytisine', 'Cytisine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure