Detailed information for compound 1416076

Basic information

Technical information
  • TDR Targets ID: 1416076
  • Name: 2-[(4-ethoxyphenyl)-[2-[(4-methyl-2-oxo-7-chr omenyl)oxy]-1-oxoethyl]amino]acetic acid ethy l ester
  • MW: 439.458 | Formula: C24H25NO7
  • H donors: 0 H acceptors: 3 LogP: 3.51 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CN(c1ccc(cc1)OCC)C(=O)COc1ccc2c(c1)oc(=O)cc2C
  • InChi: 1S/C24H25NO7/c1-4-29-18-8-6-17(7-9-18)25(14-24(28)30-5-2)22(26)15-31-19-10-11-20-16(3)12-23(27)32-21(20)13-19/h6-13H,4-5,14-15H2,1-3H3
  • InChiKey: NKGMJFLDZKVJRR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-ethoxyphenyl)-[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]acetic acid ethyl ester
  • ASN 03108618
  • ethyl 2-[(4-ethoxyphenyl)-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]acetate
  • ethyl 2-[(4-ethoxyphenyl)-[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]acetate
  • ethyl 2-[(4-ethoxyphenyl)-[2-(4-methyl-2-oxo-chromen-7-yl)oxyethanoyl]amino]ethanoate
  • MLS000678376
  • SMR000284968
  • {(4-Ethoxy-phenyl)-[2-(4-methyl-2-oxo-2H-chromen-7-yloxy)-acetyl]-amino}-acetic

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0025 0.0072 0.0232
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0025 0.0072 0.0106
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0057 0.0275 0.0275
Echinococcus multilocularis segment polarity protein dishevelled 0.0057 0.0275 0.0884
Loa Loa (eye worm) hypothetical protein 0.0101 0.0556 0.0556
Entamoeba histolytica tartrate dehydrogenase, putative 0.0014 0 0.0022
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0041 0.0171 0.0251
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0025 0.0072 0.0232
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0072 0.0106
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0113 0.0628 1
Mycobacterium ulcerans hypothetical protein 0.0025 0.0072 0.0427
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0025 0.0072 0.0232
Trypanosoma cruzi guanine nucleotide releasing protein, putative 0.0041 0.0171 0.272
Trichomonas vaginalis ras GTP exchange factor, putative 0.0041 0.0171 0.1019
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0025 0.0072 0.0072
Echinococcus granulosus tar DNA binding protein 0.0454 0.2796 0.9005
Schistosoma mansoni ras GTP exchange factor 0.0041 0.0171 0.0251
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0025 0.0072 0.0232
Trichomonas vaginalis conserved hypothetical protein 0.0025 0.0072 0.0429
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0041 0.0171 0.0251
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Echinococcus granulosus hyperpolarization activated cyclic 0.0025 0.0072 0.0232
Toxoplasma gondii isocitrate dehydrogenase 0.0113 0.0628 1
Schistosoma mansoni tar DNA-binding protein 0.0454 0.2796 0.4106
Echinococcus granulosus cGMP dependent protein kinase 1 0.0025 0.0072 0.0232
Trypanosoma cruzi hypothetical protein 0.0041 0.0171 0.272
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0025 0.0072 0.0232
Echinococcus granulosus segment polarity protein dishevelled 0.0057 0.0275 0.0884
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.3047 0.9814
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0025 0.0072 0.0232
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0113 0.0628 0.2024
Trypanosoma cruzi cAMP binding protein, putative 0.0025 0.0072 0.1144
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0072 0.0106
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0057 0.0275 0.0282
Echinococcus multilocularis rap guanine nucleotide exchange factor 1 0.0041 0.0171 0.055
Trichomonas vaginalis cAMP-dependent protein kinase type I-beta regulatory subunit, putative 0.0025 0.0072 0.0429
Trichomonas vaginalis cAMP-dependent protein kinase regulatory subunit, putative 0.0025 0.0072 0.0429
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0134 0.0134
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0025 0.0072 0.0106
Loa Loa (eye worm) TAR-binding protein 0.0454 0.2796 0.2796
Mycobacterium tuberculosis Conserved hypothetical protein 0.0025 0.0072 0.1139
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0025 0.0072 0.1144
Echinococcus multilocularis expressed conserved protein 0.0025 0.0072 0.0232
Leishmania major hypothetical protein, conserved 0.0025 0.0072 0.1139
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0503 0.3105 1
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0025 0.0072 0.1144
Mycobacterium ulcerans glutaminase 0.0278 0.1677 1
Trichomonas vaginalis ras GTP exchange factor, son of sevenless, putative 0.0041 0.0171 0.1019
Brugia malayi N-terminal motif family protein 0.1156 0.7249 0.7249
Schistosoma mansoni hypothetical protein 0.0503 0.3105 0.456
Echinococcus granulosus son of sevenless 1 0.0041 0.0171 0.055
Brugia malayi N-terminal motif family protein 0.0041 0.0171 0.0171
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0113 0.0628 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0025 0.0072 0.0429
Brugia malayi CXXC zinc finger family protein 0.0035 0.0134 0.0134
Brugia malayi Egg laying defective protein 4 0.0025 0.0072 0.0072
Echinococcus granulosus GPCR family 2 0.0503 0.3105 1
Treponema pallidum cyclic nucleotide binding protein 0.0025 0.0072 0.5
Trichomonas vaginalis glutaminase, putative 0.0278 0.1677 1
Toxoplasma gondii LsmAD domain-containing protein 0.0101 0.0556 0.8692
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0025 0.0072 0.0106
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0014 0 0.0001
Brugia malayi RasGEF domain containing protein 0.0041 0.0171 0.0171
Toxoplasma gondii isocitrate dehydrogenase 0.0113 0.0628 1
Echinococcus multilocularis segment polarity protein dishevelled 0.0057 0.0275 0.0884
Echinococcus granulosus hyperpolarization activated cyclic 0.0025 0.0072 0.0232
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0072 0.0106
Plasmodium vivax ataxin-2 like protein, putative 0.0101 0.0556 0.8692
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0025 0.0072 0.0232
Brugia malayi glutaminase DH11.1 0.0278 0.1677 0.1677
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.038 0.0558
Echinococcus granulosus Pleckstrin G protein interacting region 0.0057 0.0275 0.0884
Loa Loa (eye worm) glutaminase 2 0.0278 0.1677 0.1677
Schistosoma mansoni hypothetical protein 0.0503 0.3105 0.456
Brugia malayi Cyclic-nucleotide gated cation channel 0.0025 0.0072 0.0072
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0072 0.0106
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0025 0.0072 0.0232
Trichomonas vaginalis ras GTP exchange factor, putative 0.0041 0.0171 0.1019
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Loa Loa (eye worm) hypothetical protein 0.1087 0.6809 0.6809
Loa Loa (eye worm) DIX domain-containing protein 0.0057 0.0275 0.0275
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0025 0.0072 0.0232
Loa Loa (eye worm) hypothetical protein 0.0025 0.0072 0.0072
Onchocerca volvulus 0.0041 0.0171 0.0138
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0025 0.0072 0.0072
Trypanosoma cruzi cyclic nucleotide-binding domain containing protein, putative 0.0025 0.0072 0.1144
Leishmania major protein kinase, putative 0.0025 0.0072 0.1139
Echinococcus multilocularis regulator of G protein signaling 7 0.0057 0.0275 0.0884
Trypanosoma cruzi hypothetical protein 0.0041 0.0171 0.272
Schistosoma mansoni dishevelled 0.0057 0.0275 0.0403
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0025 0.0072 0.0232
Entamoeba histolytica hypothetical protein 0.0041 0.0171 1
Brugia malayi DIX domain containing protein 0.0057 0.0275 0.0275
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0025 0.0072 0.0429
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0072 0.0106
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Brugia malayi hypothetical protein 0.0065 0.0328 0.0328
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0025 0.0072 0.0106
Echinococcus multilocularis son of sevenless 1 0.0041 0.0171 0.055
Loa Loa (eye worm) AGC/PKG protein kinase 0.0025 0.0072 0.0072
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0113 0.0628 0.2024
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0113 0.0628 1
Leishmania major hypothetical protein, unknown function 0.0025 0.0072 0.1139
Onchocerca volvulus 0.0057 0.0275 0.0282
Brugia malayi Calcitonin receptor-like protein seb-1 0.159 1 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0113 0.0628 0.2024
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0025 0.0072 0.0232
Loa Loa (eye worm) RasGEF domain-containing protein 0.0041 0.0171 0.0171
Leishmania major protein kinase A regulatory subunit, putative 0.0025 0.0072 0.1139
Trypanosoma cruzi cAMP response protein 1 0.0025 0.0072 0.1144
Plasmodium falciparum ataxin-2 like protein, putative 0.0101 0.0556 0.8692
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0113 0.0628 0.2024
Echinococcus granulosus regulator of G protein signaling 7 0.0057 0.0275 0.0884
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0503 0.3105 0.3105
Echinococcus granulosus cGMP dependent protein kinase 0.0025 0.0072 0.0232
Schistosoma mansoni hypothetical protein 0.0494 0.3047 0.4475
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0025 0.0072 0.0232
Mycobacterium tuberculosis Conserved protein 0.0025 0.0072 0.1139
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0025 0.0072 0.0232
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0025 0.0072 0.0106
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0025 0.0072 0.5
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Leishmania major protein kinase, putative 0.0025 0.0072 0.1139
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0503 0.3105 1
Echinococcus granulosus segment polarity protein dishevelled 0.0057 0.0275 0.0884
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0025 0.0072 0.0072
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0503 0.3105 1
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0014 0 0.0001
Schistosoma mansoni unc-13 (munc13) 0.0014 0 0.0001
Trypanosoma cruzi PAB1-binding protein , putative 0.0101 0.0556 0.8841
Echinococcus multilocularis tar DNA binding protein 0.0454 0.2796 0.9005
Schistosoma mansoni tar DNA-binding protein 0.0454 0.2796 0.4106
Loa Loa (eye worm) hypothetical protein 0.0025 0.0072 0.0072
Schistosoma mansoni hypothetical protein 0.0025 0.0072 0.0106
Mycobacterium tuberculosis Conserved hypothetical protein 0.0025 0.0072 0.1139
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0025 0.0072 0.0429
Leishmania major regulatory subunit of protein kinase a-like protein 0.0025 0.0072 0.1139
Mycobacterium ulcerans hypothetical protein 0.0025 0.0072 0.0427
Brugia malayi RNA recognition motif domain containing protein 0.0454 0.2796 0.2796
Echinococcus granulosus rap guanine nucleotide exchange factor 6 0.0041 0.0171 0.055
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0014 0 0.0002
Mycobacterium leprae Conserved hypothetical protein 0.0025 0.0072 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0025 0.0072 0.0106
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0045 0.0202 0.0649
Brugia malayi hypothetical protein 0.0101 0.0556 0.0556
Echinococcus multilocularis isocitrate dehydrogenase 0.0113 0.0628 0.2024
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0014 0 0.0001
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Loa Loa (eye worm) hypothetical protein 0.0503 0.3105 0.3105
Mycobacterium ulcerans regulatory protein 0.0025 0.0072 0.0427
Schistosoma mansoni isocitrate dehydrogenase 0.0014 0 0.0001
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0041 0.0171 0.0251
Loa Loa (eye worm) RNA binding protein 0.0454 0.2796 0.2796
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0057 0.0275 0.0403
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Treponema pallidum cyclic nucleotide binding protein 0.0025 0.0072 0.5
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0025 0.0072 0.1139
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0025 0.0072 0.0232
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0072 0.0106
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0014 0 0.5
Brugia malayi RasGEF domain containing protein 0.0041 0.0171 0.0171
Echinococcus multilocularis ras GTP exchange factor 0.0041 0.0171 0.055
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0025 0.0072 0.5
Trypanosoma cruzi cAMP response protein 1, putative 0.0025 0.0072 0.1144
Echinococcus multilocularis regulator of G protein signaling 7 0.0057 0.0275 0.0884
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0025 0.0072 0.0106
Schistosoma mansoni hypothetical protein 0.0503 0.3105 0.456
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0025 0.0072 0.0106
Echinococcus granulosus Protein son of sevenless 0.0041 0.0171 0.055
Loa Loa (eye worm) pigment dispersing factor receptor c 0.159 1 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0025 0.0072 0.0232
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0025 0.0072 0.0232
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0503 0.3105 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0454 0.2796 0.2796
Mycobacterium ulcerans transcriptional regulatory protein 0.0025 0.0072 0.0427
Plasmodium falciparum ataxin-2 like protein, putative 0.0101 0.0556 0.8692
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0039 0.0158 0.0233
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0025 0.0072 0.0106
Schistosoma mansoni hypothetical protein 0.0503 0.3105 0.456
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Echinococcus multilocularis hyperpolarization activated cyclic 0.0025 0.0072 0.0232
Brugia malayi isocitrate dehydrogenase 0.0113 0.0628 0.0628
Loa Loa (eye worm) RasGEF domain-containing protein 0.0041 0.0171 0.0171
Trypanosoma cruzi protein kinase A regulatory subunit 0.0025 0.0072 0.1144
Leishmania major hypothetical protein, conserved 0.0101 0.0556 0.8841
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.1156 0.7249 1
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0025 0.0072 0.0232
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0025 0.0072 0.1139
Loa Loa (eye worm) latrophilin receptor protein 2 0.0503 0.3105 0.3105
Treponema pallidum catabolite gene activator 0.0025 0.0072 0.5
Schistosoma mansoni hypothetical protein 0.0045 0.0202 0.0296
Schistosoma mansoni dishevelled 0.0057 0.0275 0.0403
Loa Loa (eye worm) hypothetical protein 0.0057 0.0275 0.0275
Loa Loa (eye worm) hypothetical protein 0.0025 0.0072 0.0072
Schistosoma mansoni cpg binding protein 0.0037 0.0146 0.0215
Loa Loa (eye worm) RasGEF domain-containing protein 0.0041 0.0171 0.0171
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0025 0.0072 0.0072
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0057 0.0275 0.0275
Echinococcus granulosus cGMP dependent protein kinase 1 0.0025 0.0072 0.0232
Leishmania major hypothetical protein, conserved 0.0025 0.0072 0.1139
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0045 0.0202 0.0649
Echinococcus multilocularis rap guanine nucleotide exchange factor 6 0.0041 0.0171 0.055
Schistosoma mansoni tar DNA-binding protein 0.0454 0.2796 0.4106
Schistosoma mansoni tar DNA-binding protein 0.0454 0.2796 0.4106
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Echinococcus granulosus rap guanine nucleotide exchange factor 1 0.0041 0.0171 0.055
Brugia malayi RNA binding protein 0.0454 0.2796 0.2796
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0014 0 0.0001
Schistosoma mansoni regulator of G protein signaling 0.0057 0.0275 0.0403
Schistosoma mansoni dep domain containing protein 0.0057 0.0275 0.0403
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0113 0.0628 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0025 0.0072 0.0429
Echinococcus multilocularis Protein son of sevenless 0.0041 0.0171 0.055
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0025 0.0072 0.0072
Mycobacterium ulcerans transmembrane transport protein 0.0025 0.0072 0.0427
Echinococcus multilocularis cpg binding protein 0.0037 0.0146 0.0471
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0025 0.0072 0.0106
Mycobacterium ulcerans hypothetical protein 0.0025 0.0072 0.0427
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0025 0.0072 0.1139
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0025 0.0072 0.0232
Echinococcus granulosus ras GTP exchange factor 0.0041 0.0171 0.055
Loa Loa (eye worm) hypothetical protein 0.159 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0025 0.0072 0.1144
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0025 0.0072 0.0232
Trypanosoma cruzi PAB1-binding protein , putative 0.0101 0.0556 0.8841
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0057 0.0275 0.0884
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0113 0.0628 0.2024
Loa Loa (eye worm) glutaminase 0.0278 0.1677 0.1677
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0025 0.0072 0.0429
Brugia malayi hypothetical protein 0.0057 0.0275 0.0275
Loa Loa (eye worm) hypothetical protein 0.0057 0.0275 0.0275
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0025 0.0072 0.0106
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0057 0.0275 0.0275
Schistosoma mansoni serine/threonine protein kinase 0.0025 0.0072 0.0106
Loa Loa (eye worm) hypothetical protein 0.1156 0.7249 0.7249
Leishmania major cyclic nucleotide-binding protein-like protein 0.0025 0.0072 0.1139
Brugia malayi Isocitrate dehydrogenase 0.0113 0.0628 0.0628
Echinococcus granulosus voltage gated potassium channel 0.0025 0.0072 0.0232
Schistosoma mansoni tar DNA-binding protein 0.0454 0.2796 0.4106
Loa Loa (eye worm) hypothetical protein 0.0041 0.0171 0.0171
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0025 0.0072 0.0106
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.033 0.4645
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0025 0.0072 0.1139
Trypanosoma cruzi Flagellar Member 6 0.0025 0.0072 0.1144
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0113 0.0628 1
Schistosoma mansoni voltage-gated potassium channel 0.0025 0.0072 0.0106
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0025 0.0072 0.0232
Schistosoma mansoni cpg binding protein 0.0037 0.0146 0.0215
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0025 0.0072 0.0232
Brugia malayi TAR-binding protein 0.0454 0.2796 0.2796
Toxoplasma gondii hypothetical protein 0.0057 0.0275 0.3642
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0014 0 0.0001
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0025 0.0072 0.0106
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0041 0.0171 0.0138
Schistosoma mansoni glutaminase 0.0278 0.1677 0.2463
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0025 0.0072 0.0106
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0025 0.0072 0.0232
Echinococcus granulosus regulator of G protein signaling 7 0.0057 0.0275 0.0884
Brugia malayi hypothetical protein 0.0057 0.0275 0.0275
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0041 0.0171 0.0251
Schistosoma mansoni hypothetical protein 0.1087 0.6809 1
Echinococcus multilocularis GPCR, family 2 0.0503 0.3105 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0113 0.0628 0.0628
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0025 0.0072 0.0429
Treponema pallidum catabolite gene activator (Crp) 0.0025 0.0072 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0146 0.0471
Loa Loa (eye worm) hypothetical protein 0.0041 0.0171 0.0171
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0113 0.0628 0.0923
Echinococcus multilocularis hyperpolarization activated cyclic 0.0025 0.0072 0.0232
Brugia malayi N-terminal motif family protein 0.0041 0.0171 0.0171
Brugia malayi regulator of G-protein signaling egl-10 0.0057 0.0275 0.0275
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0025 0.0072 0.0072
Brugia malayi Latrophilin receptor protein 2 0.0503 0.3105 0.3105
Echinococcus granulosus patatin phospholipase domain containing protein 0.0025 0.0072 0.0232
Brugia malayi RasGEF domain containing protein 0.0041 0.0171 0.0171
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0025 0.0072 0.0072
Loa Loa (eye worm) hypothetical protein 0.0057 0.0275 0.0275
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0025 0.0072 0.0232
Schistosoma mansoni cpg binding protein 0.0035 0.0134 0.0196
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0025 0.0072 0.0072
Echinococcus granulosus dnaJ subfamily B 0.0494 0.3047 0.9814
Onchocerca volvulus 0.0035 0.0134 0.0086
Echinococcus multilocularis voltage gated potassium channel 0.0025 0.0072 0.0232
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0113 0.0628 1
Entamoeba histolytica Ras guanine nucleotide exchange factor, putative 0.0041 0.0171 1
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0025 0.0072 0.0106
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0113 0.0628 1
Leishmania major hypothetical protein, conserved 0.0025 0.0072 0.1139
Trichomonas vaginalis guanine nucleotide exchange factor, putative 0.0041 0.0171 0.1019
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0025 0.0072 0.0106
Schistosoma mansoni z-protein (S1r protein) 0.0057 0.0275 0.0403
Brugia malayi latrophilin 2 splice variant baaae 0.1087 0.6809 0.6809
Trypanosoma brucei PAB1-binding protein , putative 0.0101 0.0556 0.8692
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0025 0.0072 0.0072
Mycobacterium ulcerans hypothetical protein 0.0025 0.0072 0.0427
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0113 0.0628 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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