Showing entry for Doconexent


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0002244
Compound NameDoconexent
Structure
FormulaC22H32O2
InchiKeyMBMBGCFOFBJSGT-KUBAVDMBSA-N
SMILESCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
InchiInChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
IUPAC(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoic acid
Molecular Weight328.49
Pubchem Id445580
Chembl IdCHEMBL367149
Targets of Information Source
DrugBank DB03756
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
Q07869 BXGT012945 Peroxisome proliferator-activated receptor alpha reviewed Nuclear receptor PPARA approved; investigational ligand
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG approved; investigational ligand
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA approved; investigational activator
P28702 BXGT009287 Retinoic acid receptor RXR-beta reviewed Nuclear receptor RXRB approved; investigational activator
P48443 BXGT010631 Retinoic acid receptor RXR-gamma reviewed Nuclear receptor RXRG approved; investigational activator
P36956 BXGT009947 Sterol regulatory element-binding protein 1 reviewed - SREBF1 approved; investigational inhibitor
PDB HXA
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
O15540 BXGT004178 Fatty acid-binding protein, brain reviewed FABP7 - - - 53.4 -
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed RXRA Nuclear receptor - - - -
P9WK65 BXGT012357 Putative phthiocerol dimycocerosate transporter LppX reviewed lppX - - - - -
P67372 BXGT011557 DegV domain-containing protein SPy_1493/M5005_Spy1226 reviewed SPy_1493 - - - - -
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed PPARG Nuclear receptor - - - -
Q05769 BXGT012834 Prostaglandin G/H synthase 2 reviewed Ptgs2 - - - - -
Q7NDN8 BXGT017055 Proton-gated ion channel reviewed glvI - - - - -
P02754 BXGT005946 Beta-lactoglobulin reviewed LGB - - - - -
Binding DB 50210259
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 BXGT018813 Oxoeicosanoid receptor 1 reviewed G-protein coupled receptor OXER1 1600 - - -
reviewed BXGT009349 Caspase-1 reviewed Enzyme CASP1 - 6760 - -
reviewed BXGT011858 Prostaglandin G/H synthase 2 reviewed PTGS2 - 9800 - -
reviewed BXGT004924 Prostaglandin G/H synthase 1 reviewed PTGS1 - 15000 - -
reviewed BXGT007717 Aromatase reviewed Enzyme CYP19A1 - 33200 - -
reviewed BXGT004106 Free fatty acid receptor 1 reviewed G-protein coupled receptor FFAR1 - - - 11700
reviewed BXGT004106 Free fatty acid receptor 1 reviewed G-protein coupled receptor FFAR1 - - - 36000
reviewed BXGT018813 Oxoeicosanoid receptor 1 reviewed G-protein coupled receptor OXER1 - 2000 - -
CHEMBL CHEMBL367149
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
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 39810 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 39810 nM
Q8TDS5 BXGT018813 Oxoeicosanoid receptor 1 reviewed G-protein coupled receptor OXER1 IC50 '=' 2000 nM
Q9UGP5 BXGT021689 DNA polymerase lambda reviewed Enzyme POLL Inhibition - - -
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 20596 nM
Q969S8 BXGT019613 Polyamine deacetylase HDAC10 reviewed Epigenetic regulator HDAC10 Inhibition - - -
Q9UKV0 BXGT021750 Histone deacetylase 9 reviewed Epigenetic regulator HDAC9 Inhibition - - -
P56524 BXGT011176 Histone deacetylase 4 reviewed Epigenetic regulator HDAC4 Inhibition - - -
Q96DB2 BXGT019639 Histone deacetylase 11 reviewed Epigenetic regulator HDAC11 Inhibition - - -
Q9BY41 BXGT020180 Histone deacetylase 8 reviewed Epigenetic regulator HDAC8 Inhibition - - -
Q8WUI4 BXGT018992 Histone deacetylase 7 reviewed Epigenetic regulator HDAC7 Inhibition - - -
Q9UQL6 BXGT021813 Histone deacetylase 5 reviewed Epigenetic regulator HDAC5 Inhibition - - -
Q92769 BXGT019370 Histone deacetylase 2 reviewed Epigenetic regulator HDAC2 Inhibition - - -
Q9UBN7 BXGT021658 Histone deacetylase 6 reviewed Epigenetic regulator HDAC6 Inhibition - - -
O15379 BXGT004159 Histone deacetylase 3 reviewed Epigenetic regulator HDAC3 Inhibition - - -
Q13547 BXGT013373 Histone deacetylase 1 reviewed Epigenetic regulator HDAC1 Inhibition - - -
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 31622 nM
Q9F4F7 BXGT020344 4'-phosphopantetheinyl transferase ffp reviewed - ffp Potency '=' 79432 nM
O62664 BXGT004924 Prostaglandin G/H synthase 1 reviewed - PTGS1 IC50 '=' 15000 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA Activity - - -
O94925 BXGT005342 Glutaminase kidney isoform, mitochondrial reviewed Enzyme GLS Potency - 25118 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 22387 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29092 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 12 %
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 2818 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 25118 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 15848 nM
P97697 BXGT012214 Inositol monophosphatase 1 reviewed - Impa1 Potency '=' 31622 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 25118 nM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Potency - 10000 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 IC50 '=' 33200 nM
P11511 BXGT007717 Aromatase reviewed Enzyme CYP19A1 Activity '=' 98 %
P79208 BXGT011858 Prostaglandin G/H synthase 2 reviewed - PTGS2 IC50 '=' 9800 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 11220 nM
P37231 BXGT009972 Peroxisome proliferator-activated receptor gamma reviewed Nuclear receptor PPARG Activity '=' 1 -
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 28183 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 29855 nM
O14842 BXGT004106 Free fatty acid receptor 1 reviewed G-protein coupled receptor FFAR1 Activity - - -
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 50118 nM
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 44668 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 33498 nM
O14842 BXGT004106 Free fatty acid receptor 1 reviewed G-protein coupled receptor FFAR1 EC50 '=' 36000 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
P19793 BXGT008515 Retinoic acid receptor RXR-alpha reviewed Nuclear receptor RXRA ED50 '=' 50 uM
Q9UBT6 BXGT021664 DNA polymerase kappa reviewed - POLK Inhibition - - -
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 7079 nM
O14842 BXGT004106 Free fatty acid receptor 1 reviewed G-protein coupled receptor FFAR1 Efficacy '=' 67 %
O14842 BXGT004106 Free fatty acid receptor 1 reviewed G-protein coupled receptor FFAR1 EC50 '=' 11700 nM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00016 Peanut Arachis hypogaea Nuts
BXGF00042 Safflower Carthamus tinctorius Herbs and Spices
BXGF00056 Mandarin orange (Clementine, Tangerine) Citrus reticulata Fruits
BXGF00175 Potato Solanum tuberosum Vegetables
BXGF00249 Other bread Cereals and cereal products
BXGF00250 Breakfast cereal Cereals and cereal products
BXGF00253 Pasta Cereals and cereal products
BXGF00254 Biscuit Cereals and cereal products
BXGF00263 Red king crab Paralithodes camtschaticus Aquatic foods
BXGF00270 Atlantic herring Clupea harengus harengus Aquatic foods
BXGF00271 Atlantic mackerel Scomber scombrus Aquatic foods
BXGF00272 Painted comber Serranus scriba Aquatic foods
BXGF00273 Atlantic pollock Pollachius pollachius Aquatic foods
BXGF00274 Atlantic wolffish Anarhichas lupus Aquatic foods
BXGF00276 Striped bass Morone saxatilis Aquatic foods
BXGF00278 Beluga whale Delphinapterus leucas Aquatic foods
BXGF00280 Blue crab Callinectes sapidus Aquatic foods
BXGF00281 Blue mussel Mytilus edulis Aquatic foods
BXGF00282 Northern bluefin tuna Thunnus thynnus Aquatic foods
BXGF00283 Bluefish Pomatomus saltatrix Aquatic foods
BXGF00288 Burbot Lota lota Aquatic foods
BXGF00297 Common carp Cyprinus carpio Aquatic foods
BXGF00299 Channel catfish Ictalurus punctatus Aquatic foods
BXGF00308 Cisco Coregonus artedi Aquatic foods
BXGF00311 Pacific cod Gadus macrocephalus Aquatic foods
BXGF00312 Atlantic cod Gadus morhua Aquatic foods
BXGF00313 Common octopus Octopus vulgaris Aquatic foods
BXGF00319 Atlantic croaker Micropogonias undulatus Aquatic foods
BXGF00321 Cuttlefish Sepiidae Aquatic foods
BXGF00324 Dolphin fish Coryphaena hippurus Aquatic foods
BXGF00325 Freshwater drum Aplodinotus grunniens Aquatic foods
BXGF00326 Dungeness crab Cancer magister Aquatic foods
BXGF00328 Eastern oyster Crassostrea virginica Aquatic foods
BXGF00329 Freshwater eel Anguilla Aquatic foods
BXGF00332 European anchovy Engraulis encrasicolus Aquatic foods
BXGF00336 Florida pompano Trachinotus carolinus Aquatic foods
BXGF00339 Greenland halibut/turbot Reinhardtius hippoglossoides Aquatic foods
BXGF00341 Grouper Epinephelus Aquatic foods
BXGF00342 Haddock Melanogrammus aeglefinus Aquatic foods
BXGF00343 Hippoglossus (Common halibut) Hippoglossus Aquatic foods
BXGF00350 Pacific jack mackerel Trachurus symmetricus Aquatic foods
BXGF00359 King mackerel Scomberomorus cavalla Aquatic foods
BXGF00365 Lingcod Ophiodon elongatus Aquatic foods
BXGF00366 American lobster Homarus americanus Aquatic foods
BXGF00379 Striped mullet Mugil cephalus Aquatic foods
BXGF00389 Spotted seal Phoca largha Aquatic foods
BXGF00390 Pacific herring Clupea pallasii Aquatic foods
BXGF00391 Pacific oyster Crassostrea gigas Aquatic foods
BXGF00392 Pacific rockfish Sebastes Aquatic foods
BXGF00395 Northern pike Esox lucius Aquatic foods
BXGF00400 French plantain Musa X paradisiaca Fruits
BXGF00405 Quinoa Chenopodium quinoa Herbs and Spices
BXGF00406 Rainbow smelt Osmerus mordax Aquatic foods
BXGF00407 Rainbow trout Oncorhynchus mykiss Aquatic foods
BXGF00411 Orange roughy Hoplostethus atlanticus Aquatic foods
BXGF00412 Sablefish Anoplopoma fimbria Aquatic foods
BXGF00413 Pink salmon Oncorhynchus gorbuscha Aquatic foods
BXGF00414 Chum salmon Oncorhynchus keta Aquatic foods
BXGF00415 Coho salmon Oncorhynchus kisutch Aquatic foods
BXGF00416 Sockeye salmon Oncorhynchus nerka Aquatic foods
BXGF00417 Chinook salmon Oncorhynchus tshawytscha Aquatic foods
BXGF00418 Atlantic salmon Salmo salar Aquatic foods
BXGF00423 Spanish mackerel Scomberomorus maculatus Aquatic foods
BXGF00424 Pacific sardine Sardinops sagax Aquatic foods
BXGF00425 Scallop Pectinidae Aquatic foods
BXGF00429 Bearded seal Erignathus barbatus Aquatic foods
BXGF00431 Sea trout Salmo trutta forma trutta Aquatic foods
BXGF00433 American shad Alosa sapidissima Aquatic foods
BXGF00434 Shark Squaliformes Aquatic foods
BXGF00435 Sheefish Stenodus leucichthys Aquatic foods
BXGF00436 Sheepshead Archosargus probatocephalus Aquatic foods
BXGF00438 Skipjack tuna Katsuwonus pelamis Aquatic foods
BXGF00439 Snapper Lutjanidae Aquatic foods
BXGF00444 Greater sturgeon Acipenser Aquatic foods
BXGF00445 White sucker Catostomus commersonii Aquatic foods
BXGF00447 Pumpkinseed sunfish Lepomis gibbosus Aquatic foods
BXGF00448 Swordfish Xiphias gladius Aquatic foods
BXGF00451 Tilefish Lopholatilus chamaeleonticeps Aquatic foods
BXGF00454 Salmonidae (Salmon, Trout) Salmonidae Aquatic foods
BXGF00455 Cattle (Beef, Veal) Bos taurus Animal foods
BXGF00456 Walleye Sander vitreus Aquatic foods
BXGF00457 Alaska pollock Theragra chalcogramma Aquatic foods
BXGF00460 Whelk Buccinidae Aquatic foods
BXGF00462 Whitefish Coregonus Aquatic foods
BXGF00463 Whiting Merlangius merlangus Aquatic foods
BXGF00470 Yellowfin tuna Thunnus albacares Aquatic foods
BXGF00473 Albacore tuna Thunnus alalunga Aquatic foods
BXGF00474 Gadus (Common cod) Gadus Aquatic foods
BXGF00475 Atlantic halibut Hippoglossus hippoglossus Aquatic foods
BXGF00477 Smelt Osmeridae Aquatic foods
BXGF00478 Clupeinae (Herring, Sardine, Sprat) Clupeinae Aquatic foods
BXGF00479 Spiny lobster Palinuridae Aquatic foods
BXGF00480 Snow crab Chionoecetes opilio Aquatic foods
BXGF00484 Percoidei (Bass and others) Percoidei Aquatic foods
BXGF00485 Perciformes (Perch-like fishes) Perciformes Aquatic foods
BXGF00489 Bivalvia (Clam, Mussel, Oyster) Bivalvia Aquatic foods
BXGF00490 Squid Teuthida Aquatic foods
BXGF00491 Shrimp Caridea Aquatic foods
BXGF00492 Crayfish Astacidea Aquatic foods
BXGF00493 Flatfish Pleuronectiformes Aquatic foods
BXGF00494 Domestic pig (Piglet, Pork) Sus scrofa domestica Animal foods
BXGF00515 Spot croaker Leiostomus xanthurus Aquatic foods
BXGF00518 Atlantic menhaden Brevoortia tyrannus Aquatic foods
BXGF00523 Jellyfish Scyphozoa Aquatic foods
BXGF00524 Anchovy Engraulidae Aquatic foods
BXGF00528 Sturgeon Acipenseridae Aquatic foods
BXGF00531 Crab Brachyura Aquatic foods
BXGF00535 Anguilliformes (Eel) Anguilliformes Aquatic foods
BXGF00536 True frog Ranidae Aquatic foods
BXGF00537 Garfish Belone belone Aquatic foods
BXGF00541 Lemon sole Microstomus kitt Aquatic foods
BXGF00542 Clawed lobster Nephropidae Aquatic foods
BXGF00543 Lumpsucker Cyclopteridae Aquatic foods
BXGF00544 Scombridae (Bonito, Mackerel, Tuna) Scombridae Aquatic foods
BXGF00545 Marine mussel Mytilidae Aquatic foods
BXGF00547 Norway lobster Nephrops norvegicus Aquatic foods
BXGF00550 True oyster Ostreidae Aquatic foods
BXGF00554 Pleuronectidae (Dab, Halibut, Plaice) Pleuronectidae Aquatic foods
BXGF00556 Pacific ocean perch Sebastes alutus Aquatic foods
BXGF00562 True sole Soleidae Aquatic foods
BXGF00563 Catfish Siluriformes Aquatic foods
BXGF00565 Thunnus (Common tuna) Thunnus Aquatic foods
BXGF00568 Columbidae (Dove, Pigeon) Columbidae Animal foods
BXGF00569 Conch Strombidae Aquatic foods
BXGF00574 Cheese Milk and milk products
BXGF00576 Eggs Eggs
BXGF00581 Ice cream Confectioneries
BXGF00593 Cake Confectioneries
BXGF00594 Pizza Dishes
BXGF00596 Other snack food Snack foods
BXGF00598 Pastry Confectioneries
BXGF00602 Salad dressing Baking goods
BXGF00603 Sauce Baking goods
BXGF00609 Sausage Dishes
BXGF00622 Other fish product Aquatic foods
BXGF00625 Baby food Baby foods
BXGF00627 Soup Dishes
BXGF00653 Roe Aquatic foods
BXGF00654 Cichlidae (Tilapia) Cichlidae Aquatic foods
BXGF00656 Snack bar Snack foods
BXGF00657 Green turtle Chelonia mydas Aquatic foods
BXGF00659 Burrito Dishes
BXGF00663 Taco Dishes
BXGF00666 Processed cheese Milk and milk products
BXGF00667 Salad Dishes
BXGF00671 Sweet custard Confectioneries
BXGF00672 Egg roll Dishes
BXGF00675 Potato chip Snack foods
BXGF00684 Other frozen dessert Confectioneries
BXGF00687 Pancake Dishes
BXGF00689 Pudding Confectioneries
BXGF00690 Waffle Dishes
BXGF00692 Meatloaf Dishes
BXGF00703 Quesadilla Dishes
BXGF00710 Other sandwich Dishes
BXGF00712 Breakfast sandwich Dishes
BXGF00714 Macaroni and cheese Dishes
BXGF00717 Hushpuppy Dishes
BXGF00724 Cold cut Dishes
BXGF00734 Pie crust Baking goods
BXGF00736 Pie Confectioneries
BXGF00741 Cracker Snack foods
BXGF00745 Ravioli Dishes
BXGF00747 Other pasta dish Dishes
BXGF00749 Tamale Dishes
BXGF00757 Bagel Cereals and cereal products
BXGF00759 Piki bread Cereals and cereal products
BXGF00760 French toast Cereals and cereal products
BXGF00765 Cornbread Cereals and cereal products
BXGF00771 Wonton wrapper Baking goods
BXGF00780 Chocolate mousse Confectioneries
BXGF00782 Pupusa Dishes
BXGF00783 Empanada Dishes
BXGF00786 Gefilte fish Dishes
BXGF00789 Other dish Dishes
BXGF00796 Margarine Fats and oils
BXGF00797 Margarine-like spread Fats and oils
BXGF00817 Fishes Aquatic foods
BXGF00871 Citrus unshiu Citrus unshiu Medicinal Plant
BXGF04735 Xylocarpus granatum Xylocarpus granatum 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