Showing entry for 1,4-Naphtoquinone


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0000116
Compound Name1,4-Naphtoquinone
Structure
FormulaC10H6O2
InchiKeyFRASJONUBLZVQX-UHFFFAOYSA-N
SMILESO=C1C=CC(=O)C2=CC=CC=C12
InchiInChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H
IUPAC1,4-dihydronaphthalene-1,4-dione
Molecular Weight158.15
Pubchem Id8530
Chembl IdCHEMBL55934
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 24776
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 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed IDO1 - 990 - -
reviewed BXGT008531 Carbon monoxide dehydrogenase small chain reviewed coxS - - 140000 -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA - 3430 - -
reviewed BXGT005655 Papain reviewed - - 29000 - -
reviewed BXGT009419 M-phase inducer phosphatase 2 reviewed Enzyme CDC25B - 2760 - -
reviewed BXGT009271 Dual specificity protein phosphatase 1 reviewed Dusp1 - 8450 - -
reviewed BXGT016113 Dual specificity protein phosphatase 6 reviewed Dusp6 - 19800 - -
reviewed BXGT009172 Amine oxidase [flavin-containing] B reviewed MAOB 1500 - - -
reviewed BXGT008644 Amine oxidase [flavin-containing] A reviewed MAOA 7700 - - -
reviewed BXGT012662 Dual specificity mitogen-activated protein kinase kinase 1 reviewed Kinase MAP2K1 - 380 - -
reviewed BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 - 10980 - -
CHEMBL CHEMBL55934
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
P30304 BXGT009418 M-phase inducer phosphatase 1 reviewed Enzyme CDC25A Inhibition '=' 79 %
P11387 BXGT007696 DNA topoisomerase 1 reviewed Enzyme TOP1 MIC '>' 500000 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Ki '=' 1500 nM
P30305 BXGT009419 M-phase inducer phosphatase 2 reviewed Enzyme CDC25B IC50 '=' 2760 nM
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Inhibition - - -
P07374 BXGT006615 Urease reviewed - Activity '=' 24 %
P07374 BXGT006615 Urease reviewed - Activity '=' 40 %
P11473 BXGT007709 Vitamin D3 receptor reviewed Nuclear receptor VDR Potency - 39810 nM
P00772 BXGT005648 Chymotrypsin-like elastase family member 1 reviewed - CELA1 Activity - - -
P08419 BXGT006770 Chymotrypsin-like elastase family member 2A reviewed - CELA2A Activity - - -
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 54482 nM
P42573 BXGT010316 Cell death protein 3 reviewed - ced-3 Inhibition - - -
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 '=' 990 nM
Q64346 BXGT016113 Dual specificity protein phosphatase 6 reviewed - Dusp6 IC50 '=' 19800 nM
P00784 BXGT005655 Papain reviewed - Inhibition '=' 49 %
P35869 BXGT009877 Aryl hydrocarbon receptor reviewed Transcription factor AHR Potency - 15848 nM
P00784 BXGT005655 Papain reviewed - Inhibition '=' 76 %
P28563 BXGT009271 Dual specificity protein phosphatase 1 reviewed - Dusp1 IC50 '=' 8450 nM
P00784 BXGT005655 Papain reviewed - IC50 '=' 29000 nM
P17612 BXGT008322 cAMP-dependent protein kinase catalytic subunit alpha reviewed Kinase PRKACA IC50 - - -
P27338 BXGT009172 Amine oxidase [flavin-containing] B reviewed - MAOB Activity '=' 50 %
P42574 BXGT010317 Caspase-3 reviewed Enzyme CASP3 Inhibition - - -
P07374 BXGT006615 Urease reviewed - Activity '=' 7 %
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Inhibition - - -
Q4U254 BXGT014890 Protease unreviewed - protease IC50 '=' 21000 nM
P0DPI0 BXGT007528 Botulinum neurotoxin type A reviewed - botA Ratio '=' 2 /M/s
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Inhibition '>' 50 %
P31749 BXGT009574 RAC-alpha serine/threonine-protein kinase reviewed Kinase AKT1 IC50 '=' 10980 nM
Q02750 BXGT012662 Dual specificity mitogen-activated protein kinase kinase 1 reviewed Kinase MAP2K1 IC50 '=' 380 nM
P30304 BXGT009418 M-phase inducer phosphatase 1 reviewed Enzyme CDC25A Inhibition '=' 26 %
P30305 BXGT009419 M-phase inducer phosphatase 2 reviewed Enzyme CDC25B Inhibition '=' 71 %
P10828 BXGT007624 Thyroid hormone receptor beta reviewed Nuclear receptor THRB Potency - 5011 nM
P11388 BXGT007697 DNA topoisomerase 2-alpha reviewed - TOP2A Inhibition '=' 56 %
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 '=' 460 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 IC50 '=' 2000 nM
P30304 BXGT009418 M-phase inducer phosphatase 1 reviewed Enzyme CDC25A Inhibition '=' 20 %
P30304 BXGT009418 M-phase inducer phosphatase 1 reviewed Enzyme CDC25A Inhibition '=' 24 %
P30304 BXGT009418 M-phase inducer phosphatase 1 reviewed Enzyme CDC25A Inhibition '=' 26 %
P30304 BXGT009418 M-phase inducer phosphatase 1 reviewed Enzyme CDC25A Inhibition '=' 18 %
P30307 BXGT009421 M-phase inducer phosphatase 3 reviewed Enzyme CDC25C Inhibition '=' 99 %
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 Inhibition '>=' 79 %
O43175 BXGT004575 D-3-phosphoglycerate dehydrogenase reviewed Enzyme PHGDH Inhibition '=' 95 %
P30304 BXGT009418 M-phase inducer phosphatase 1 reviewed Enzyme CDC25A Inhibition '=' 20 %
P14902 BXGT008065 Indoleamine 2,3-dioxygenase 1 reviewed - IDO1 IC50 - - -
P9WPJ7 BXGT012457 Beta-carbonic anhydrase 1 reviewed - mtcA1 deltaTm '=' -8 K
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Inhibition - - -
Q9H9B1 BXGT020501 Histone-lysine N-methyltransferase EHMT1 reviewed Epigenetic regulator EHMT1 IC50 '=' 14000 nM
P21397 BXGT008644 Amine oxidase [flavin-containing] A reviewed - MAOA Ki '=' 7700 nM
Q9H9B1 BXGT020501 Histone-lysine N-methyltransferase EHMT1 reviewed Epigenetic regulator EHMT1 Inhibition '>' 50 %
P9WPJ7 BXGT012457 Beta-carbonic anhydrase 1 reviewed - mtcA1 Activity '=' 76 %
P9WPJ9 BXGT012458 Carbonic anhydrase 2 reviewed - mtcA2 Activity '=' 94 %
Q9H9B1 BXGT020501 Histone-lysine N-methyltransferase EHMT1 reviewed Epigenetic regulator EHMT1 Inhibition - - -
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF00093 Black walnut Juglans nigra Nuts
BXGF00094 Common walnut Juglans regia Nuts
BXGF00573 Liquor Beverages
BXGF01134 Arnebia euchroma Arnebia euchroma Medicinal Plant
BXGF03053 Arnebia guttata Arnebia guttata Medicinal Plant
BXGF05420 Lawsonia inermis Lawsonia inermis 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