Detailed information for compound 795705

Basic information

Technical information
  • TDR Targets ID: 795705
  • Name: 2-amino-4-(4-ethylphenyl)-5-oxo-4H-pyrano[5,6 -c]chromene-3-carbonitrile
  • MW: 344.363 | Formula: C21H16N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.81 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC1=C(N)Oc2c(C1c1ccc(cc1)CC)c(=O)oc1c2cccc1
  • InChi: 1S/C21H16N2O3/c1-2-12-7-9-13(10-8-12)17-15(11-22)20(23)26-19-14-5-3-4-6-16(14)25-21(24)18(17)19/h3-10,17H,2,23H2,1H3
  • InChiKey: JPXKWXSLNIMDMP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-amino-4-(4-ethylphenyl)-5-keto-4H-pyrano[5,6-c]chromene-3-carbonitrile
  • A0509/0023621
  • Oprea1_194519

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0023
Echinococcus multilocularis ecdysone induced protein 78C 0.002 0.0134 0.0134
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0134 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.002 0.0134 0.0211
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0134 0.0211
Trichomonas vaginalis glucosylceramidase, putative 0.0507 0.6359 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0134 0.0211
Onchocerca volvulus 0.002 0.0134 0.0218
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0052 0.0544 0.0544
Schistosoma mansoni methyl-cpg binding protein mbd 0.0052 0.0544 0.1318
Trichomonas vaginalis glucosylceramidase, putative 0.0507 0.6359 1
Echinococcus granulosus GPCR family 2 0.0032 0.0296 0.0716
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.4131 0.6274
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0184 0.2228 0.2228
Schistosoma mansoni RAR-like nuclear receptor 0.002 0.0134 0.0324
Loa Loa (eye worm) bromodomain containing protein 0.0054 0.0568 0.0894
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0134 0.0211
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0641 0.1552
Loa Loa (eye worm) hypothetical protein 0.0124 0.1467 0.2307
Schistosoma mansoni hypothetical protein 0.007 0.0778 0.1883
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0014 0.0023
Brugia malayi Pre-SET motif family protein 0.0062 0.0679 0.1068
Onchocerca volvulus Bile acid receptor homolog 0.002 0.0134 0.0218
Echinococcus multilocularis FTZ F1 alpha 0.002 0.0134 0.0134
Brugia malayi steroid hormone receptor 0.002 0.0134 0.0211
Brugia malayi Pre-SET motif family protein 0.0432 0.5397 0.8486
Loa Loa (eye worm) hypothetical protein 0.0132 0.1564 0.2459
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0134 0.0211
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0296 0.0296
Entamoeba histolytica hypothetical protein 0.0039 0.0379 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.001 0.0014 0.0023
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0109 0.128 0.128
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0062 0.0679 0.7968
Loa Loa (eye worm) steroid hormone receptor 0.002 0.0134 0.0211
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.002 0.0134 0.0211
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.1193 0.1876
Trypanosoma cruzi ISWI complex protein 0.0047 0.0476 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0211
Onchocerca volvulus 0.0062 0.0679 0.1103
Brugia malayi Bromodomain containing protein 0.023 0.2824 0.444
Mycobacterium ulcerans beta-lactamase 0.0039 0.0379 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0296 0.0716
Brugia malayi beta-lactamase 0.0039 0.0379 0.0596
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0296 0.0465
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0008 0.0008
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0114 0.1343 0.1343
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.1193 0.1876
Echinococcus multilocularis cpg binding protein 0.0039 0.0375 0.0375
Trypanosoma cruzi ISWI complex protein 0.0047 0.0476 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0062 0.0679 0.1644
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0039 0.0379 0.0596
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.002 0.0134 0.0324
Echinococcus multilocularis fetal alzheimer antigen, falz 0.007 0.0781 0.0781
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0134 0.0211
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.4131 0.6274
Entamoeba histolytica hypothetical protein 0.0039 0.0379 1
Onchocerca volvulus 0.0031 0.0278 0.0452
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0033 0.0033
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.002 0.0134 0.0211
Loa Loa (eye worm) hypothetical protein 0.0103 0.1193 0.1876
Plasmodium vivax hypothetical protein, conserved 0.0039 0.0379 0.5517
Trichomonas vaginalis glucosylceramidase, putative 0.035 0.436 0.6657
Brugia malayi SET domain containing protein 0.0011 0.0015 0.0024
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.002 0.0134 0.0324
Brugia malayi CXXC zinc finger family protein 0.0031 0.0278 0.0438
Trichomonas vaginalis glucosylceramidase, putative 0.0507 0.6359 1
Schistosoma mansoni SET domain protein 0.0011 0.0015 0.0037
Schistosoma mansoni cpg binding protein 0.0039 0.0375 0.0909
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0211
Schistosoma mansoni myst-related protein 0.0009 0.0002 0.0004
Mycobacterium leprae Probable lipase LipE 0.0039 0.0379 0.5
Schistosoma mansoni hypothetical protein 0.0032 0.0296 0.0716
Echinococcus granulosus histone lysine methyltransferase setb 0.0114 0.1343 0.3251
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0379 0.0918
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0278 0.0438
Brugia malayi hypothetical protein 0.0039 0.0379 0.0596
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0033 0.0079
Loa Loa (eye worm) hypothetical protein 0.0015 0.007 0.011
Echinococcus granulosus cpg binding protein 0.0039 0.0375 0.0909
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.002 0.0134 0.0324
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0114 0.1343 0.3251
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0134 0.0211
Loa Loa (eye worm) hypothetical protein 0.0117 0.1375 0.2162
Mycobacterium ulcerans lipase LipD 0.0039 0.0379 0.5
Schistosoma mansoni myst-related protein 0.0009 0.0002 0.0004
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0134 0.0211
Schistosoma mansoni zinc finger protein 0.0047 0.0476 0.1153
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.007 0.0781 0.189
Schistosoma mansoni retinoic acid receptor RXR 0.002 0.0134 0.0324
Trypanosoma brucei ISWI complex protein 0.0047 0.0476 1
Brugia malayi nuclear hormone receptor 0.002 0.0134 0.0211
Schistosoma mansoni cpg binding protein 0.0031 0.0278 0.0674
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0014 0.0035
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.4131 0.6274
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0379 0.0917
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.002 0.0134 0.0211
Brugia malayi ecdysteroid receptor 0.002 0.0134 0.0211
Loa Loa (eye worm) hypothetical protein 0.0176 0.2133 0.3355
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0379 0.0379
Schistosoma mansoni hypothetical protein 0.0333 0.4131 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0134 0.0211
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0008 0.0008
Entamoeba histolytica hypothetical protein 0.0039 0.0379 1
Schistosoma mansoni hypothetical protein 0.0032 0.0296 0.0716
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0114 0.1343 0.3251
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0507 0.6359 1
Brugia malayi PHD-finger family protein 0.0078 0.0873 0.1373
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0249 0.3067 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.002 0.0134 0.0324
Schistosoma mansoni zinc finger protein 0.0061 0.0665 0.1611
Schistosoma mansoni hypothetical protein 0.0039 0.0379 0.0917
Echinococcus granulosus ecdysone induced protein 78C 0.002 0.0134 0.0324
Schistosoma mansoni bromodomain containing protein 0.0195 0.2367 0.573
Mycobacterium ulcerans hypothetical protein 0.0039 0.0379 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0062 0.0679 0.0679
Echinococcus multilocularis geminin 0.0333 0.4131 0.4131
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.002 0.0134 0.0324
Brugia malayi hypothetical protein 0.001 0.0014 0.0023
Echinococcus multilocularis GPCR, family 2 0.0032 0.0296 0.0296
Echinococcus multilocularis thyroid hormone receptor alpha 0.002 0.0134 0.0134
Echinococcus granulosus geminin 0.0333 0.4131 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0211
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0134 0.0211
Schistosoma mansoni methyl-cpg binding protein mbd 0.0052 0.0544 0.1318
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.0753 0.1824
Entamoeba histolytica hypothetical protein 0.0039 0.0379 1
Leishmania major hypothetical protein, conserved 0.0047 0.0476 1
Mycobacterium leprae conserved hypothetical protein 0.0039 0.0379 0.5
Echinococcus granulosus methyl CpG binding domain protein 2 0.0052 0.0544 0.1318
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.002 0.0134 0.0134
Brugia malayi Nuclear hormone receptor family member nhr-25 0.002 0.0134 0.0211
Schistosoma mansoni hypothetical protein 0.0032 0.0296 0.0716
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.1193 0.1876
Plasmodium vivax SET domain protein, putative 0.0062 0.0679 1
Echinococcus multilocularis zinc finger protein 0.0061 0.0665 0.0665
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0039 0.0379 0.0918
Loa Loa (eye worm) beta-lactamase 0.0039 0.0379 0.0596
Brugia malayi N-terminal motif family protein 0.0176 0.2133 0.3355
Onchocerca volvulus Glucosylceramidase homolog 0.0333 0.4131 0.671
Echinococcus granulosus zinc finger protein 0.0061 0.0665 0.1611
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0134 0.0211
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0211
Onchocerca volvulus 0.0011 0.0015 0.0025
Schistosoma mansoni bromodomain containing protein 0.0015 0.007 0.0169
Trichomonas vaginalis set domain proteins, putative 0.0491 0.6157 0.9663
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0211
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0023
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.002 0.0134 0.0324
Onchocerca volvulus 0.0039 0.0379 0.0616
Schistosoma mansoni Tr4/Tr2 (homologue) 0.002 0.0134 0.0324
Trichomonas vaginalis glucosylceramidase, putative 0.0507 0.6359 1
Brugia malayi nuclear receptor RXR 0.001 0.0014 0.0023
Loa Loa (eye worm) hypothetical protein 0.0039 0.0379 0.0596
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0023
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0109 0.128 0.3097
Mycobacterium ulcerans esterase/lipase LipP 0.0039 0.0379 0.5
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0023
Echinococcus granulosus fetal alzheimer antigen falz 0.007 0.0781 0.189
Brugia malayi beta-lactamase family protein 0.0039 0.0379 0.0596
Trichomonas vaginalis glucosylceramidase, putative 0.035 0.436 0.6657
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.001 0.0014 0.0035
Schistosoma mansoni nuclear hormone receptor 0.002 0.0134 0.0324
Schistosoma mansoni hypothetical protein 0.0047 0.0476 0.1153
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0296 0.0465
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0008 0.002
Schistosoma mansoni hypothetical protein 0.0063 0.0684 0.1655
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.2133 0.3465
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0134 0.0211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.002 0.0134 0.0211
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.001 0.0014 0.0014
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0134 0.0324
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0134 0.0211
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0211
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0184 0.2228 0.5393
Loa Loa (eye worm) hypothetical protein 0.0039 0.0379 0.0596
Trichomonas vaginalis glucosylceramidase, putative 0.0507 0.6359 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.002 0.0134 0.0324
Onchocerca volvulus 0.0039 0.0379 0.0616
Loa Loa (eye worm) hypothetical protein 0.001 0.0014 0.0023
Onchocerca volvulus 0.0039 0.0379 0.0616
Loa Loa (eye worm) hypothetical protein 0.007 0.0778 0.1223
Echinococcus multilocularis beta LACTamase domain containing family member 0.0039 0.0379 0.0379
Trichomonas vaginalis glucosylceramidase, putative 0.0507 0.6359 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0039 0.0379 0.0918
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.002 0.0134 0.0211
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0008 0.002
Schistosoma mansoni hypothetical protein 0.0032 0.0296 0.0716
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0296 0.0465
Loa Loa (eye worm) hypothetical protein 0.0032 0.0296 0.0465
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0134 0.0211
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0014 0.0023
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0379 0.0917
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.002 0.0134 0.0134
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0062 0.0679 0.1644
Loa Loa (eye worm) hypothetical protein 0.0039 0.0379 0.0596
Brugia malayi Bromodomain containing protein 0.0117 0.1372 0.2157
Onchocerca volvulus 0.0491 0.6157 1
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.4131 0.6274
Brugia malayi beta-lactamase family protein 0.0039 0.0379 0.0596
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.4131 0.6274
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.0134 0.0324
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0296 0.0296
Echinococcus granulosus FTZ F1 alpha 0.002 0.0134 0.0324
Plasmodium falciparum zinc finger protein, putative 0.0009 0.0002 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.002 0.0134 0.0211
Toxoplasma gondii histone lysine methyltransferase SET1 0.0068 0.0756 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0134 0.0134
Brugia malayi F/Y-rich N-terminus family protein 0.0018 0.0105 0.0166
Schistosoma mansoni coup transcription factor 0.002 0.0134 0.0324
Onchocerca volvulus Protein ultraspiracle homolog 0.002 0.0134 0.0218
Brugia malayi hypothetical protein 0.001 0.0014 0.0023
Schistosoma mansoni retinoid-x-receptor (RXR) 0.002 0.0134 0.0324
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0778 0.1223
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0033 0.0051
Loa Loa (eye worm) hypothetical protein 0.0215 0.2634 0.4143
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.4131 0.6274
Brugia malayi nuclear receptor NHR-88 0.002 0.0134 0.0211
Loa Loa (eye worm) hypothetical protein 0.0114 0.1343 0.2112
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.002 0.0134 0.0134
Echinococcus granulosus retinoic acid receptor rxr beta a 0.002 0.0134 0.0324
Schistosoma mansoni cpg binding protein 0.0039 0.0375 0.0909
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0432 0.5397 0.8486
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.002 0.0134 0.0324
Loa Loa (eye worm) hypothetical protein 0.0039 0.0379 0.0596
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.002 0.0134 0.0134
Schistosoma mansoni thyroid hormone receptor 0.002 0.0134 0.0324
Trichomonas vaginalis glucosylceramidase, putative 0.0333 0.4131 0.6274
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0039 0.0379 0.0596
Loa Loa (eye worm) hypothetical protein 0.0039 0.0379 0.0596
Schistosoma mansoni thyroid hormone receptor 0.002 0.0134 0.0324
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0507 0.6359 1
Loa Loa (eye worm) PHD-finger family protein 0.0063 0.0684 0.1075
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0134 0.0211
Loa Loa (eye worm) hypothetical protein 0.0039 0.0379 0.0596
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.0134 0.0134
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0008 0.002
Schistosoma mansoni hypothetical protein 0.0333 0.4131 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0296 0.0716
Loa Loa (eye worm) hypothetical protein 0.002 0.0134 0.0211
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.001 0.0014 0.0035
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.002 0.0134 0.0218
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.002 0.0134 0.0324
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0039 0.0379 0.5

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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