Showing entry for Cepharanthine


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0050123
Compound NameCepharanthine
Structure
FormulaC37H38N2O6
InchiKeyYVPXVXANRNDGTA-WDYNHAJCSA-N
SMILESCOc1cc2CCN([C@H]3c2cc1Oc1c2c(CCN([C@H]2Cc2ccc(Oc4cc(C3)ccc4OC)cc2)C)cc2c1OCO2)C
InchiInChI=1S/C37H38N2O6/c1-38-13-11-24-18-31(41-4)33-20-27(24)28(38)16-23-7-10-30(40-3)32(17-23)44-26-8-5-22(6-9-26)15-29-35-25(12-14-39(29)2)19-34-36(37(35)45-33)43-21-42-34/h5-10,17-20,28-29H,11-16,21H2,1-4H3/t28-,29+/m1/s1
IUPAC
Molecular Weight606.27
Pubchem Id10206
Chembl IdCHEMBL449782
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 50423643
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 BXGT009278 Trypanothione reductase reviewed TPR 7600 - - -
reviewed BXGT009278 Trypanothione reductase reviewed TPR 51600 - - -
CHEMBL CHEMBL449782
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
P28593 BXGT009278 Trypanothione reductase reviewed - TPR Ki '=' 51600 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 15848 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 6513 nM
P25779 BXGT009067 Cruzipain reviewed - Potency '=' 15848 nM
B2RXH2 BXGT002006 Lysine-specific demethylase 4E reviewed - KDM4E Potency '=' 39810 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 2818 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 2818 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23715 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 5173 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 7079 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 89 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 35481 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 32642 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' 40 %
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 28183 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 8 %
P28593 BXGT009278 Trypanothione reductase reviewed - TPR Ki '=' 7600 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 11220 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 14125 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 3981 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 28183 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 11220 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 6513 nM
P04062 BXGT006140 Lysosomal acid glucosylceramidase reviewed - GBA Potency - 8912 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 91 %
Q5T3U5 BXGT015846 Multidrug resistance-associated protein 7 reviewed Transporter ABCC10 Inhibition '=' 20 %
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 125 %
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 16360 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 19952 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 5804 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02661 Sphaerophysa salsula Sphaerophysa salsula Others
BXGF02930 Euphorbia characias subsp. wulfenii Euphorbia characias subsp. wulfenii Medicinal Plant
BXGF02968 Doronicum grandiflorum Doronicum grandiflorum Others
BXGF03173 Oxytropis lanata Oxytropis lanata Others
BXGF03259 Populus balsamifera Populus balsamifera Medicinal Plant
BXGF03331 Strychnos gossweileri Strychnos gossweileri Others
BXGF03417 Leibnitzia anandria Leibnitzia anandria Medicinal Plant
BXGF03475 Lithocarpus haipinii Lithocarpus haipinii Others
BXGF03974 Stephania epigaea Stephania epigaea Others
BXGF04347 Stephania erecta Stephania erecta Others
BXGF05001 Stephania cepharantha Stephania cepharantha Medicinal Plant
BXGF05762 Ardisia hortorum Ardisia hortorum Medicinal Plant
BXGF06187 Stephania delavayi Stephania delavayi 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