Showing entry for 2-Anilinonaphthalene-1,4-Dione


　 　 　 　 　 　 　 　 　 　 　 　 　 　 　
General Compound Information
BXGC IdBXGC0025200
Compound Name2-Anilinonaphthalene-1,4-Dione
Structure
FormulaC16H11NO2
InchiKeyOPECBHGHSFBITB-UHFFFAOYSA-N
SMILESO=C1C(=CC(=O)c2c1cccc2)Nc1ccccc1
InchiInChI=1S/C16H11NO2/c18-15-10-14(17-11-6-2-1-3-7-11)16(19)13-9-5-4-8-12(13)15/h1-10,17H
IUPAC2-anilinonaphthalene-1,4-dione
Molecular Weight249.08
Pubchem Id81124
Chembl IdCHEMBL84010
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 49934
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 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA - - - 1348
reviewed BXGT010049 Heat shock factor protein 1 reviewed Hsf1 - - - 1260
CHEMBL CHEMBL84010
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
P02545 BXGT005889 Prelamin-A/C reviewed - LMNA Potency '=' 17 nM
Q96QE3 BXGT019718 ATPase family AAA domain-containing protein 5 reviewed - ATAD5 Potency - 2908 nM
O97447 BXGT005436 Putative fructose-1,6-bisphosphate aldolase unreviewed - ald Potency '=' 3539 nM
Q99700 BXGT019949 Ataxin-2 reviewed Nucleic acid binding ATXN2 Potency - 9466 nM
O75496 BXGT005132 Geminin reviewed - GMNN Potency - 32642 nM
Q13951 BXGT013407 Core-binding factor subunit beta reviewed - CBFB Potency - 3548 nM
Q01196 BXGT012575 Runt-related transcription factor 1 reviewed Transcription factor RUNX1 Potency - 3548 nM
Q27686 BXGT013930 Pyruvate kinase reviewed - PYK Potency '=' 7079 nM
P43367 BXGT010382 Calpain-2 catalytic subunit reviewed - CAPN2 IC50 '=' 6162 nM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 Potency '=' 1584 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 70 nM
O75874 BXGT005157 Isocitrate dehydrogenase [NADP] cytoplasmic reviewed - IDH1 Potency - 14581 nM
P42858 BXGT010341 Huntingtin reviewed - HTT Potency '=' 11220 nM
O75164 BXGT005104 Lysine-specific demethylase 4A reviewed - KDM4A Potency - 12589 nM
O94782 BXGT005332 Ubiquitin carboxyl-terminal hydrolase 1 reviewed Enzyme USP1 Potency - 17782 nM
P51450 BXGT010847 Nuclear receptor ROR-gamma reviewed - Rorc Potency '=' 14125 nM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
P08659 BXGT006805 Luciferin 4-monooxygenase reviewed - Potency - 3380 nM
Q16236 BXGT013624 Nuclear factor erythroid 2-related factor 2 reviewed Enzyme NFE2L2 Potency - 18356 nM
Q04206 BXGT012754 Transcription factor p65 reviewed Transcription factor RELA EC50 '=' 1348 nM
P19838 BXGT008526 Nuclear factor NF-kappa-B p105 subunit reviewed Transcription factor NFKB1 EC50 '=' 1348 nM
Q00653 BXGT012541 Nuclear factor NF-kappa-B p100 subunit reviewed Transcription factor NFKB2 EC50 '=' 1348 nM
O95398 BXGT005378 Rap guanine nucleotide exchange factor 3 reviewed Enzyme modulator RAPGEF3 Potency - 100000 nM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
O15118 BXGT004127 NPC intracellular cholesterol transporter 1 reviewed Transporter NPC1 Potency '=' 1778 nM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
P04637 BXGT006243 Cellular tumor antigen p53 reviewed Transcription factor TP53 Potency - 79432 nM
P38532 BXGT010049 Heat shock factor protein 1 reviewed - Hsf1 EC50 '=' 1260 nM
P51151 BXGT010837 Ras-related protein Rab-9A reviewed - RAB9A Potency '=' 1000 nM
P10636 BXGT007596 Microtubule-associated protein tau reviewed - MAPT Potency '=' 7079 nM
P00811 BXGT005666 Beta-lactamase reviewed - ampC Potency '=' 3162 nM
P28482 BXGT009263 Mitogen-activated protein kinase 1 reviewed Kinase MAPK1 Potency '=' 25118 nM
P00352 BXGT005510 Retinal dehydrogenase 1 reviewed Enzyme ALDH1A1 Potency '=' 39810 nM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
Q194T2 BXGT013743 Non-structural protein 1 unreviewed - NS1 IC50 - 81685 nM
Q9NR56 BXGT021179 Muscleblind-like protein 1 reviewed Nucleic acid binding MBNL1 Potency - 2238 nM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 12995 nM
P83916 BXGT012025 Chromobox protein homolog 1 reviewed Epigenetic regulator CBX1 Potency - 12589 nM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
Q9NUW8 BXGT021219 Tyrosyl-DNA phosphodiesterase 1 reviewed Enzyme TDP1 Potency - 23109 nM
Q16637 BXGT013646 Survival motor neuron protein reviewed Epigenetic regulator SMN1 Potency '=' 12589 nM
O00167 BXGT003887 Eyes absent homolog 2 reviewed - EYA2 Potency - 6013 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 6513 nM
Q77YF9 BXGT016886 Protein Vpr unreviewed - vpr Potency - 2511 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 3981 nM
Q9UIF8 BXGT021718 Bromodomain adjacent to zinc finger domain protein 2B reviewed - BAZ2B Potency - 7943 nM
Q96KQ7 BXGT019687 Histone-lysine N-methyltransferase EHMT2 reviewed Epigenetic regulator EHMT2 Potency - 14125 nM
P84022 BXGT012027 Mothers against decapentaplegic homolog 3 reviewed Transcription factor SMAD3 Potency - 20596 nM
Q9Y468 BXGT022270 Lethal(3)malignant brain tumor-like protein 1 reviewed Epigenetic regulator L3MBTL1 Potency '=' 2511 nM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
Q03431 BXGT012714 Parathyroid hormone/parathyroid hormone-related peptide receptor reviewed G-protein coupled receptor PTH1R Potency - 3981 nM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
O75030 BXGT005096 Microphthalmia-associated transcription factor reviewed - MITF AbsAC40_uM '=' 0 uM
Foods  containing  the  compound
Foods
BXGF Id Food Name Scientific Name Food Group
BXGF Id Food Name Scientific Name Food Group
BXGF02916 Lygodium japonicum Lygodium japonicum 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