Showing entry for (R)-Roemerine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0001495
Compound Name(R)-Roemerine
Structure
FormulaC18H17NO2
InchiKeyJCTYWRARKVGOBK-UHFFFAOYSA-N
SMILESCN1CCC2=CC3=C(OCO3)C3=C2C1CC1=CC=CC=C31
InchiInChI=1S/C18H17NO2/c1-19-7-6-12-9-15-18(21-10-20-15)17-13-5-3-2-4-11(13)8-14(19)16(12)17/h2-5,9,14H,6-8,10H2,1H3
IUPAC11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,?.0?,2?.01?,1?]icosa-1(20),2(6),7,14,16,18-hexaene
Molecular Weight279.33
Pubchem Id235224
Chembl IdCHEMBL36654
Targets of Information Source
DrugBank n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
Uniport Id BXGT Id Protein Name Status Protein Class Gene Groups Target Type
PDB n.a
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM Ka M-1
Binding DB 50284797
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
Uniport Id BXGT Id Protein Name Status Protein Class Gene Ki nM ic50 nM Kd nM EC50 nM
reviewed BXGT022194 Zinc finger protein mex-5 reviewed mex-5 - - - 21456
reviewed BXGT004084 Apoptotic protease-activating factor 1 reviewed APAF1 - 10200 - -
reviewed BXGT004084 Apoptotic protease-activating factor 1 reviewed APAF1 - >100000 - -
reviewed BXGT011111 Caspase-9 reviewed Enzyme CASP9 - 2730 - -
reviewed BXGT021649 Methyl-CpG-binding domain protein 2 reviewed Epigenetic regulator MBD2 - 4695 - -
reviewed BXGT013504 Protein tyrosine phosphatase receptor type C-associated protein reviewed PTPRCAP - 107000 - -
CHEMBL CHEMBL36654
Uniport Id BXGT Id Protein Name Status Protein Class Gene width="10%">Type Relation value Units
Uniport Id BXGT Id Protein Name Status Protein Class Gene Type Relation value Units
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 2818 nM
O14727 BXGT004084 Apoptotic protease-activating factor 1 reviewed - APAF1 IC50 '>' 100000 nM
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 15848 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency - 62841 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 50118 nM
Q96T88 BXGT019747 E3 ubiquitin-protein ligase UHRF1 reviewed - UHRF1 IC50 '>' 43799 nM
P06746 BXGT006496 DNA polymerase beta reviewed Enzyme POLB Potency '=' 15848 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 7079 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 79432 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 251 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency - 51912 nM
Q63470 BXGT016073 Dual specificity tyrosine-phosphorylation-regulated kinase 1A reviewed - Dyrk1a AC50 '=' 2539 nM
Q14761 BXGT013504 Protein tyrosine phosphatase receptor type C-associated protein reviewed - PTPRCAP IC50 '=' 107000 nM
P18901 BXGT008440 D(1A) dopamine receptor reviewed - Drd1 Ki '=' 377 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
Q9XUB2 BXGT022194 Zinc finger protein mex-5 reviewed - mex-5 EC50 '=' 21456 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 35481 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 35481 nM
P9WMR3 BXGT012397 Replicative DNA helicase reviewed - dnaB AC50 '>' 380000 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 6309 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 7079 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 23109 nM
P9WHJ3 BXGT012297 Protein RecA reviewed - recA EC50 '=' 79 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency - 39650 nM
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 12589 nM
G5EF15 BXGT003524 Cytoplasmic zinc-finger protein unreviewed - pos-1 EC50 '=' 16837 nM
P55212 BXGT011112 Caspase-6 reviewed Enzyme CASP6 AC50 '=' 3680 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 3548 nM
C4YTQ8 BXGT002500 ATP-dependent molecular chaperone HSP82 unreviewed - CAWG_05553 EC50 '>' 150000 nM
P61169 BXGT011367 D(2) dopamine receptor reviewed - Drd2 Ki '=' 83 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 44668 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency - 62841 nM
P10253 BXGT007550 Lysosomal alpha-glucosidase reviewed Enzyme GAA Potency '=' 39810 nM
Q13526 BXGT013369 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 reviewed - PIN1 Potency - 39810 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 11220 nM
P55210 BXGT011110 Caspase-7 reviewed Enzyme CASP7 AC50 '=' 1510 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 31622 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency - 51912 nM
P55211 BXGT011111 Caspase-9 reviewed Enzyme CASP9 AC50 '>' 70000 nM
O14727 BXGT004084 Apoptotic protease-activating factor 1 reviewed - APAF1 IC50 '=' 10200 nM
O95149 BXGT005350 Snurportin-1 reviewed - SNUPN Potency - 125892 nM
Q14974 BXGT013516 Importin subunit beta-1 reviewed Transporter KPNB1 Potency - 125892 nM
P18901 BXGT008440 D(1A) dopamine receptor reviewed - Drd1 Ki '=' 324 nM
P61169 BXGT011367 D(2) dopamine receptor reviewed - Drd2 Ki '=' 84 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00038 Tea Camellia sinensis Teas
BXGF00369 Sacred lotus Nelumbo nucifera Vegetables
BXGF00813 Coffee and coffee products Coffee and coffee products
BXGF01237 Magnolia obovata Magnolia obovata Medicinal Plant
BXGF05264 Magnolia officinalis Magnolia officinalis Medicinal Plant
The  compound-realted  diseases
Diseases
BXGD Id Disease Name CUI Disease Id Disease Class Name Number of targets?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease