Showing entry for Fanchinin


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0014455
Compound NameFanchinin
Structure
FormulaC38H42N2O6
InchiKeyWVTKBKWTSCPRNU-KYJUHHDHSA-N
SMILESCOc1c(OC)cc2c3c1Oc1cc4c(cc1OC)CCN([C@H]4Cc1ccc(Oc4cc(C[C@@H]3N(CC2)C)ccc4OC)cc1)C
InchiInChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1
IUPAC
Molecular Weight622.3
Pubchem Id73078
Chembl IdCHEMBL176045
Targets of Information Source
DrugBank DB14066
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
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 experimental inhibitor
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 n.a
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
CHEMBL CHEMBL176045
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
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 16353 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 5011 nM
P43220 BXGT010367 Glucagon-like peptide 1 receptor reviewed G-protein coupled receptor GLP1R Potency - 7079 nM
P81908 BXGT011959 Cholinesterase reviewed - BCHE Inhibition '=' -1 %
Q9HC16 BXGT020525 DNA dC->dU-editing enzyme APOBEC-3G reviewed Enzyme APOBEC3G Potency - 23715 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 4463 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 22387 nM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 56234 nM
P43140 BXGT010360 Alpha-1A adrenergic receptor reviewed - Adra1a Ki '=' 691 nM
P23944 BXGT008930 Alpha-1D adrenergic receptor reviewed - Adra1d Ki '=' 691 nM
P15823 BXGT008160 Alpha-1B adrenergic receptor reviewed - Adra1b Ki '=' 691 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 35481 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 6683 nM
O15296 BXGT004148 Arachidonate 15-lipoxygenase B reviewed Enzyme ALOX15B Potency - 12589 nM
P10980 BXGT007641 Muscarinic acetylcholine receptor M2 reviewed - Chrm2 Ki '=' 73 nM
P08911 BXGT006839 Muscarinic acetylcholine receptor M5 reviewed - Chrm5 Ki '=' 73 nM
P08485 BXGT006777 Muscarinic acetylcholine receptor M4 reviewed - Chrm4 Ki '=' 73 nM
P08483 BXGT006776 Muscarinic acetylcholine receptor M3 reviewed - Chrm3 Ki '=' 73 nM
P08482 BXGT006775 Muscarinic acetylcholine receptor M1 reviewed - Chrm1 Ki '=' 73 nM
Q03164 BXGT012700 Histone-lysine N-methyltransferase 2A reviewed - KMT2A Potency '=' 39810 nM
O00255 BXGT003903 Menin reviewed - MEN1 Potency '=' 39810 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 11220 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 14125 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency '=' 707 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2237 nM
Q9Y6L6 BXGT022334 Solute carrier organic anion transporter family member 1B1 reviewed Transporter SLCO1B1 Inhibition '=' 75 %
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 5173 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 25118 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 58 nM
O42275 BXGT004559 Acetylcholinesterase reviewed - ache Inhibition '=' 15 %
P27732 BXGT009204 Voltage-dependent L-type calcium channel subunit alpha-1D reviewed - Cacna1d Ki '=' 741 nM
Q02485 BXGT012654 Voltage-dependent L-type calcium channel subunit alpha-1S reviewed - Cacna1s Ki '=' 741 nM
P22002 BXGT008717 Voltage-dependent L-type calcium channel subunit alpha-1C reviewed - Cacna1c Ki '=' 741 nM
P39748 BXGT010134 Flap endonuclease 1 reviewed Enzyme FEN1 Potency - 89125 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 6513 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity '=' 2 fold
Q9UNA4 BXGT021785 DNA polymerase iota reviewed - POLI Potency - 89125 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 5804 nM
O89049 BXGT005293 Thioredoxin reductase 1, cytoplasmic reviewed - Txnrd1 Potency - 35481 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 19952 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 35481 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 8414 nM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency '=' 31622 nM
P08183 BXGT006741 ATP-dependent translocase ABCB1 reviewed Transporter ABCB1 Activity - - -
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 50118 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 2592 nM
P06280 BXGT006433 Alpha-galactosidase A reviewed - GLA Potency - 891 nM
Q9NPD5 BXGT021151 Solute carrier organic anion transporter family member 1B3 reviewed Transporter SLCO1B3 Inhibition '=' 220 %
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00074 Cardamom Elettaria cardamomum Herbs and Spices
BXGF01236 Anaxagorea luzonensis Anaxagorea luzonensis Medicinal Plant
BXGF01326 Argyreia nervosa Argyreia nervosa Medicinal Plant
BXGF01377 Erythrina chiriquensis Erythrina chiriquensis Others
BXGF01426 Cornus officinalis Cornus officinalis Medicinal Plant
BXGF01476 Stephania tetrandra Stephania tetrandra Medicinal Plant
BXGF01549 Sinomenium acutum Sinomenium acutum Medicinal Plant
BXGF01736 Cissampelos pareira Cissampelos pareira Medicinal Plant
BXGF01911 Bupleurum scorzonerifolium Bupleurum scorzonerifolium Medicinal Plant
BXGF02022 Croton regelianus Croton regelianus Others
BXGF03456 Phelipanche arenaria Phelipanche arenaria Others
BXGF03900 Pachygone dasycarpa Pachygone dasycarpa Others
BXGF04334 Carapichea ipecacuanha Carapichea ipecacuanha Medicinal Plant
BXGF04560 Lathyrus aphaca Lathyrus aphaca Medicinal Plant
BXGF04594 Stemona japonica Stemona japonica Others
BXGF05007 Melianthus major Melianthus major Medicinal Plant
BXGF05163 Cyclea barbata Cyclea barbata Medicinal Plant
BXGF05533 Acronychia muelleri Acronychia muelleri Others
BXGF05860 Phoradendron reichenbachianum Phoradendron reichenbachianum 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