Detailed information for compound 693328

Basic information

Technical information
  • TDR Targets ID: 693328
  • Name: 2-[4-(1-benzofuran-2-yl)-2-oxochromen-6-yl]ox yacetamide
  • MW: 335.31 | Formula: C19H13NO5
  • H donors: 1 H acceptors: 2 LogP: 2.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)COc1ccc2c(c1)c(cc(=O)o2)c1cc2c(o1)cccc2
  • InChi: 1S/C19H13NO5/c20-18(21)10-23-12-5-6-16-13(8-12)14(9-19(22)25-16)17-7-11-3-1-2-4-15(11)24-17/h1-9H,10H2,(H2,20,21)
  • InChiKey: CSJUDTICUMFRFG-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[4-(benzofuran-2-yl)-2-oxo-chromen-6-yl]oxyacetamide
  • 2-[[4-(2-benzofuranyl)-2-oxo-6-chromenyl]oxy]acetamide
  • 2-[4-(benzofuran-2-yl)-2-keto-chromen-6-yl]oxyacetamide
  • 2-[4-(1-benzofuran-2-yl)-2-oxo-chromen-6-yl]oxyethanamide
  • ZINC04586249

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi nuclear receptor NHR-88 0.0031 0.019 0.0433
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.019 0.0433
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0015 0.0053 0.009
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.019 0.0346
Loa Loa (eye worm) hypothetical protein 0.0032 0.0193 0.0469
Echinococcus multilocularis regulator of G protein signaling 0.002 0.0097 0.0169
Loa Loa (eye worm) runx1 0.0062 0.0441 0.1092
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0229
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.019 0.0338
Trypanosoma brucei mitochondrial DNA polymerase beta 0.1218 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0291 0.0518
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.019 0.0433
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0817 0.4167
Schistosoma mansoni nuclear receptor 0.0015 0.0053 0.0097
Schistosoma mansoni hypothetical protein 0.0032 0.0193 0.035
Schistosoma mansoni hypothetical protein 0.005 0.0344 0.0626
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.019 0.0433
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.019 0.0345
Brugia malayi nuclear hormone receptor family member nhr-6 0.0015 0.0053 0.009
Schistosoma mansoni hypothetical protein 0.0205 0.1623 0.295
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0209 0.1657 0.1612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0294 0.1475
Plasmodium falciparum flap endonuclease 1 0.0025 0.0142 0.5
Loa Loa (eye worm) hypothetical protein 0.0017 0.0068 0.0157
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0229
Onchocerca volvulus 0.0107 0.0817 0.1936
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0817 0.4167
Brugia malayi Flap endonuclease-1 0.0025 0.0142 0.0312
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0817 0.0768
Loa Loa (eye worm) hypothetical protein 0.0107 0.0817 0.2033
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0044 0.0294 0.0525
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0127 0.0615
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0291 0.0528
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0044 0.0294 0.0695
Schistosoma mansoni axis inhibition protein axin 0.002 0.0097 0.0176
Trichomonas vaginalis set domain proteins, putative 0.0244 0.1949 1
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0097 0.0169
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0097 0.0458
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0417 0.2645
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0496 0.1202
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0044 0.0294 0.0242
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0103 0.005
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0201 0.0996
Echinococcus granulosus cpg binding protein 0.0032 0.0197 0.035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0146 0.0712
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0053 0.0233
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0389 0.3151 0.5674
Echinococcus multilocularis cpg binding protein 0.0032 0.0197 0.035
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.019 0.0337
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0015 0.0053 0.009
Brugia malayi hypothetical protein 0.0245 0.1955 0.4869
Mycobacterium ulcerans hypothetical protein 0.0641 0.5235 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0193 0.0342
Leishmania major hypothetical protein, conserved 0.0107 0.0817 0.0768
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.019 0.0462
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.019 0.0337
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0097 0.0169
Schistosoma mansoni regulator of G protein signaling 0.002 0.0097 0.0176
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0576 0.4697 0.4668
Loa Loa (eye worm) beta-lactamase 0.0107 0.0817 0.2033
Loa Loa (eye worm) hypothetical protein 0.0031 0.019 0.0462
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.019 0.0337
Brugia malayi beta-lactamase family protein 0.0107 0.0817 0.2008
Echinococcus granulosus tumor protein p63 0.068 0.555 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.022 0.1093
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.019 0.118
Entamoeba histolytica hypothetical protein 0.0043 0.0291 0.9819
Echinococcus multilocularis Regulator of G protein signaling 20 0.002 0.0097 0.0169
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.002 0.0097 0.0458
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.0344 0.0821
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.019 0.0337
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0097 0.0169
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.019 0.0346
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.022 0.1093
Brugia malayi ecdysone receptor 0.0015 0.0053 0.009
Echinococcus granulosus nuclear receptor nhr 48 0.0015 0.0053 0.009
Brugia malayi Regulator of G protein signaling domain containing protein 0.002 0.0097 0.0199
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.019 0.0346
Giardia lamblia GTOR 0.0044 0.0294 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.019 0.0337
Brugia malayi Pre-SET motif family protein 0.0031 0.019 0.0435
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.1218 1 1
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0097 0.0458
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.019 0.0345
Echinococcus multilocularis thyroid hormone receptor alpha 0.0421 0.3409 0.614
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0214 0.1705 0.4257
Brugia malayi hypothetical protein 0.0043 0.0291 0.0686
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0044 0.0294 0.0242
Onchocerca volvulus 0.005 0.0344 0.0737
Schistosoma mansoni thyroid hormone receptor 0.0421 0.3409 0.6197
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.019 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0053 0.0233
Echinococcus multilocularis nuclear receptor nhr 48 0.0015 0.0053 0.009
Brugia malayi A-kinase anchor protein 10, precursor 0.002 0.0097 0.0199
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.019 0.0346
Loa Loa (eye worm) hypothetical protein 0.0031 0.019 0.0462
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0127 0.0615
Echinococcus granulosus regulator of G protein signaling 3 0.002 0.0097 0.0169
Onchocerca volvulus 0.003 0.0183 0.0328
Schistosoma mansoni survival motor neuron protein 0.005 0.0344 0.0626
Schistosoma mansoni hypothetical protein 0.0032 0.0193 0.035
Echinococcus multilocularis expressed protein 0.002 0.0097 0.0169
Entamoeba histolytica hypothetical protein 0.0043 0.0291 0.9819
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0015 0.0053 0.009
Onchocerca volvulus 0.0107 0.0817 0.1936
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0097 0.0169
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0053 0.009
Mycobacterium leprae Probable lipase LipE 0.0107 0.0817 0.5
Brugia malayi ecdysteroid receptor 0.0031 0.019 0.0433
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0025 0.0142 0.0089
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0097 0.0169
Schistosoma mansoni cpg binding protein 0.003 0.0183 0.0332
Brugia malayi nuclear hormone receptor 0.0031 0.019 0.0433
Echinococcus multilocularis survival motor neuron protein 1 0.0245 0.1955 0.3519
Schistosoma mansoni nuclear hormone receptor 0.0015 0.0053 0.0097
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.019 0.0337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0294 0.1475
Echinococcus multilocularis geminin 0.0205 0.1623 0.292
Schistosoma mansoni nuclear hormone receptor 0.0031 0.019 0.0345
Schistosoma mansoni regulator of G protein signaling 0.002 0.0097 0.0176
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.019 0.0433
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.0757 0.1884
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0193 0.0342
Brugia malayi nuclear receptor NHR-67 0.0015 0.0053 0.009
Brugia malayi nuclear receptor RXR 0.0015 0.0053 0.009
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.019 0.0433
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0015 0.0053 0.0097
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0817 0.4167
Brugia malayi beta-lactamase 0.0107 0.0817 0.2008
Echinococcus granulosus microtubule associated protein 2 0.0674 0.5502 0.9912
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.019 0.0345
Schistosoma mansoni hypothetical protein 0.0032 0.0193 0.035
Echinococcus granulosus regulator of G protein signaling 7 0.002 0.0097 0.0169
Loa Loa (eye worm) flap endonuclease-1 0.0025 0.0142 0.0341
Loa Loa (eye worm) hypothetical protein 0.0245 0.1955 0.4884
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0017 0.0068 0.0123
Loa Loa (eye worm) hypothetical protein 0.0017 0.0068 0.0157
Toxoplasma gondii ABC1 family protein 0.0107 0.0817 0.5227
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.019 0.0433
Loa Loa (eye worm) hypothetical protein 0.0031 0.019 0.0462
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0097 0.0176
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0146 0.0712
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0044 0.0294 0.0242
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0171 0.1347 0.1301
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0015 0.0053 0.009
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.019 0.0433
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0201 0.0996
Trichomonas vaginalis PIKK family atypical protein kinase 0.0037 0.0241 0.1202
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.019 0.0433
Loa Loa (eye worm) hypothetical protein 0.0492 0.3997 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0388 0.0959
Brugia malayi nuclear hormone receptor 0.0015 0.0053 0.009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.019 0.0462
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0193 0.044
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Loa Loa (eye worm) hypothetical protein 0.0068 0.0496 0.1229
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0025 0.0142 0.0864
Trichomonas vaginalis esterase, putative 0.0107 0.0817 0.4167
Echinococcus multilocularis flap endonuclease 1 0.0025 0.0142 0.025
Brugia malayi Nuclear hormone receptor E75 0.0015 0.0053 0.009
Schistosoma mansoni thyroid hormone receptor 0.0421 0.3409 0.6197
Echinococcus multilocularis microtubule associated protein 2 0.0674 0.5502 0.9912
Loa Loa (eye worm) hypothetical protein 0.0031 0.019 0.0462
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.002 0.0097 0.0176
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0193 0.044
Brugia malayi Regulator of G protein signaling domain containing protein 0.002 0.0097 0.0199
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0171 0.1347 0.1301
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0201 0.0996
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.022 0.1093
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.019 0.0345
Echinococcus multilocularis beta adrenergic receptor kinase 0.0193 0.1529 0.2751
Echinococcus granulosus geminin 0.0205 0.1623 0.292
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.0053 0.012
Onchocerca volvulus 0.0031 0.019 0.0346
Schistosoma mansoni lozenge 0.0062 0.0441 0.0802
Brugia malayi PXA domain containing protein 0.002 0.0097 0.0199
Echinococcus granulosus axis inhibition protein axin 0.002 0.0097 0.0169
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0388 0.0705
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.0757 0.1859
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0201 0.0996
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0015 0.0053 0.009
Loa Loa (eye worm) hypothetical protein 0.0031 0.019 0.0462
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0003 0.0006
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.019 0.0345
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.019 0.0337
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0107 0.0817 0.2033
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.022 0.1093
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0176 0.0311
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0127 0.0614
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.0053 0.0089
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0193 0.0342
Schistosoma mansoni cpg binding protein 0.0032 0.0197 0.0358
Schistosoma mansoni regulator of G protein signaling 0.002 0.0097 0.0176
Loa Loa (eye worm) hypothetical protein 0.0107 0.0817 0.2033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0044 0.0294 0.1475
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0015 0.0053 0.009
Onchocerca volvulus 0.0244 0.1949 0.4807
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Echinococcus granulosus expressed protein 0.002 0.0097 0.0169
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0107 0.0817 0.2008
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0097 0.0458
Schistosoma mansoni flap endonuclease-1 0.0023 0.0121 0.0221
Brugia malayi tailless protein 0.0015 0.0053 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0175 0.086
Trichomonas vaginalis PIKK family atypical protein kinase 0.0028 0.0167 0.0819
Loa Loa (eye worm) hypothetical protein 0.01 0.0757 0.1884
Schistosoma mansoni nuclear receptor 0.0015 0.0053 0.0097
Schistosoma mansoni serine/threonine protein kinase 0.0193 0.1529 0.2779
Trichomonas vaginalis penicillin-binding protein, putative 0.0107 0.0817 0.4167
Echinococcus multilocularis Protein lozenge 0.0062 0.0441 0.079
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0148 0.0723
Schistosoma mansoni nuclear receptor nhr-48 0.0015 0.0053 0.0097
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.0053 0.009
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.019 0.0337
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0015 0.0053 0.0097
Loa Loa (eye worm) hypothetical protein 0.0099 0.0754 0.1875
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0097 0.0458
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.019 0.0433
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0684 0.5587 1
Schistosoma mansoni serine/threonine protein kinase 0.0193 0.1529 0.2779
Schistosoma mansoni nuclear hormone receptor 0.0015 0.0053 0.0097
Onchocerca volvulus 0.0492 0.3997 1
Schistosoma mansoni hypothetical protein 0.0032 0.0193 0.035
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0127 0.0614
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0127 0.0615
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0388 0.0705
Brugia malayi nuclear receptor RXR 0.0017 0.0068 0.0127
Loa Loa (eye worm) hypothetical protein 0.0107 0.0817 0.2033
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0015 0.0053 0.009
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0817 0.1484
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0193 0.0469
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.019 0.0337
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.002 0.0101 0.0209
Brugia malayi steroid hormone receptor 0.0031 0.019 0.0433
Echinococcus multilocularis tumor protein p63 0.068 0.555 1
Loa Loa (eye worm) hypothetical protein 0.0492 0.3997 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0576 0.4697 0.4668
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.019 0.0462
Echinococcus granulosus GPCR family 2 0.0032 0.0193 0.0342
Echinococcus granulosus beta-adrenergic receptor kinase 0.0193 0.1529 0.2751
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.019 0.0433
Echinococcus multilocularis regulator of G protein signaling 7 0.002 0.0097 0.0169
Brugia malayi hypothetical protein 0.0017 0.0068 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0148 0.0723
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0107 0.0817 0.1484
Schistosoma mansoni hypothetical protein 0.0043 0.0291 0.0528
Trichomonas vaginalis PIKK family atypical protein kinase 0.0035 0.022 0.1093
Brugia malayi CXXC zinc finger family protein 0.003 0.0183 0.0415
Echinococcus granulosus Regulator of G protein signaling 20 0.002 0.0097 0.0169
Trichomonas vaginalis flap endonuclease-1, putative 0.0025 0.0142 0.0689
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.0148 0.0723
Schistosoma mansoni cpg binding protein 0.0032 0.0197 0.0358
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.019 0.0345
Loa Loa (eye worm) hypothetical protein 0.0017 0.0068 0.0157
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.019 0.0433
Brugia malayi Pre-SET motif family protein 0.0214 0.1705 0.424
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.019 0.0462
Echinococcus granulosus survival motor neuron protein 1 0.0245 0.1955 0.3519
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0017 0.0068 0.0117
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0388 0.0694
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.019 0.0346
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.002 0.0097 0.0169
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.002 0.0097 0.0169
Brugia malayi hypothetical protein 0.0017 0.0068 0.0127
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0201 0.0996
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.019 0.0433
Loa Loa (eye worm) hypothetical protein 0.0107 0.0817 0.2033
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.019 0.0345
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0068 0.0123
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.0757 0.1859
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0044 0.0294 0.0242
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0171 0.1347 0.1301
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.019 0.0338
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0044 0.0294 0.0525
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.0053 0.009
Schistosoma mansoni regulator of G protein signaling 0.002 0.0097 0.0176
Echinococcus granulosus Nuclear hormone receptor HR96 0.0015 0.0053 0.009
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.002 0.0101 0.0239
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0044 0.0294 0.0242
Schistosoma mansoni hypothetical protein 0.0205 0.1623 0.295
Echinococcus granulosus FTZ F1 alpha 0.0031 0.019 0.0337
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0017 0.0068 0.0157
Brugia malayi hypothetical protein 0.0015 0.0053 0.009
Echinococcus multilocularis GPCR, family 2 0.0032 0.0193 0.0342
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0193 0.1529 0.3817
Loa Loa (eye worm) hypothetical protein 0.0031 0.019 0.0462
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.019 0.0433
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0097 0.0458
Echinococcus granulosus flap endonuclease 1 0.0025 0.0142 0.025
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.002 0.0097 0.0176
Loa Loa (eye worm) hypothetical protein 0.0017 0.0068 0.0157
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.019 0.0337
Trichomonas vaginalis conserved hypothetical protein 0.002 0.0097 0.0458
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0044 0.0294 0.0535
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.0201 0.1249
Loa Loa (eye worm) hypothetical protein 0.0031 0.019 0.0462
Entamoeba histolytica hypothetical protein 0.0043 0.0291 0.9819
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.019 0.0345
Brugia malayi orphan nuclear receptor NR2E1 0.0015 0.0053 0.009
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0291 0.0518
Plasmodium vivax hypothetical protein, conserved 0.0107 0.0817 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.019 0.0433
Brugia malayi regulator of G-protein signaling rgs-7 0.002 0.0097 0.0199
Trypanosoma brucei hypothetical protein, conserved 0.0107 0.0817 0.0768
Onchocerca volvulus 0.0099 0.0754 0.1776
Schistosoma mansoni z-protein (S1r protein) 0.002 0.0097 0.0176
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.002 0.0097 0.0229
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0388 0.0694
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.019 0.0337
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0229
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0068 0.0127
Brugia malayi hypothetical protein 0.002 0.0097 0.0199
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0388 0.0694
Schistosoma mansoni hypothetical protein 0.0389 0.3151 0.5727
Loa Loa (eye worm) PXA domain-containing protein 0.002 0.0097 0.0229
Loa Loa (eye worm) phosphatidylinositol 3 0.0044 0.0294 0.0724
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.019 0.0433
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0576 0.4697 0.4668
Entamoeba histolytica hypothetical protein 0.0043 0.0291 0.9819
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0053 0.0233
Loa Loa (eye worm) hypothetical protein 0.0107 0.0817 0.2033
Schistosoma mansoni axis inhibition protein axin 0.002 0.0097 0.0176
Toxoplasma gondii hypothetical protein 0.0196 0.1555 1
Brugia malayi hypothetical protein 0.002 0.0097 0.0199
Echinococcus granulosus thyroid hormone receptor alpha 0.0015 0.0053 0.009
Echinococcus multilocularis regulator of G protein signaling 3 0.002 0.0097 0.0169
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0101 0.0183
Loa Loa (eye worm) nuclear receptor NHR-67 0.0015 0.0053 0.012
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0389 0.3151 0.5674
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0015 0.0053 0.012
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0017 0.0068 0.0117
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.019 0.0338
Loa Loa (eye worm) DR-78 0.0015 0.0053 0.012
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0183 0.0445
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0201 0.0996
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0025 0.0142 0.0089
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.019 0.0337
Brugia malayi regulator of G-protein signaling egl-10 0.002 0.0097 0.0199
Loa Loa (eye worm) RGS-3 protein 0.002 0.0097 0.0229
Loa Loa (eye worm) hypothetical protein 0.0031 0.019 0.0464
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.019 0.0346
Loa Loa (eye worm) hypothetical protein 0.0031 0.019 0.0462
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0035 0.022 0.0168
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0171 0.1347 0.1301
Brugia malayi hypothetical protein 0.0015 0.0053 0.009
Brugia malayi nuclear hormone receptor family member odr-7 0.0015 0.0053 0.009
Mycobacterium leprae conserved hypothetical protein 0.0107 0.0817 0.5
Loa Loa (eye worm) nuclear hormone receptor 0.0015 0.0053 0.012
Brugia malayi hypothetical protein 0.0492 0.3997 1
Schistosoma mansoni coup transcription factor 0.0031 0.019 0.0345
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0068 0.0127
Echinococcus multilocularis beta LACTamase domain containing family member 0.0107 0.0817 0.1466
Echinococcus multilocularis axis inhibition protein axin 0.002 0.0097 0.0169
Brugia malayi nuclear receptor NHR-88 0.0015 0.0053 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0053 0.0233
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0015 0.0053 0.009
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0029 0.0108
Loa Loa (eye worm) hypothetical protein 0.0009 0.0008 0.0006
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.1218 1 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.019 0.0337
Echinococcus granulosus beta LACTamase domain containing family member 0.0107 0.0817 0.1466
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.019 0.0462
Schistosoma mansoni hypothetical protein 0.0068 0.0496 0.0901
Trypanosoma cruzi hypothetical protein, conserved 0.0107 0.0817 0.0768
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0229
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0044 0.0294 0.0242
Brugia malayi conserved hypotetical protein 0.0015 0.0053 0.009
Trichomonas vaginalis D-aminoacylase, putative 0.0107 0.0817 0.4167
Plasmodium vivax SET domain protein, putative 0.0031 0.019 0.0723
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0019 0.0028
Loa Loa (eye worm) hypothetical protein 0.0107 0.0817 0.2033
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.019 0.0462
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0388 0.0931
Schistosoma mansoni zinc finger protein 0.0015 0.0053 0.0097
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0044 0.0294 1
Schistosoma mansoni regulator of G protein signaling 0.002 0.0097 0.0176
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0388 0.0705
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.019 0.0462
Trypanosoma cruzi target of rapamycin kinase 3 0.0035 0.022 0.0168
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.019 0.0346
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0019 0.0028
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0044 0.0294 1
Schistosoma mansoni cellular tumor antigen P53 0.0099 0.0754 0.137
Loa Loa (eye worm) hypothetical protein 0.0017 0.0068 0.0157
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0127 0.0614
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0019 0.0033
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.0201 0.0996
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0193 0.0342
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0229
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0474 0.0862
Schistosoma mansoni microtubule-associated protein tau 0.0674 0.5502 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0018 0.0082 0.0029
Echinococcus granulosus axis inhibition protein axin 0.002 0.0097 0.0169
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.019 0.0462
Loa Loa (eye worm) hypothetical protein 0.002 0.0097 0.0229
Brugia malayi PXA domain containing protein 0.002 0.0097 0.0199
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.019 0.0345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0053 0.0233
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0035 0.022 0.0168
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.019 0.0337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0127 0.0615
Brugia malayi beta-lactamase family protein 0.0107 0.0817 0.2008
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.019 0.0337
Echinococcus multilocularis G protein coupled receptor kinase 1 0.0173 0.1364 0.2453
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Echinococcus granulosus Nuclear hormone receptor HR96 0.0015 0.0053 0.009
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0388 0.0694
Onchocerca volvulus 0.0107 0.0817 0.1936
Onchocerca volvulus 0.0031 0.019 0.0348
Loa Loa (eye worm) hypothetical protein 0.0015 0.0053 0.012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.019 0.0337
Entamoeba histolytica Flap nuclease, putative 0.0025 0.0142 0.2274
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0015 0.0053 0.0096
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0025 0.0142 0.0089
Mycobacterium tuberculosis Conserved hypothetical protein 0.0641 0.5235 0.9261
Echinococcus granulosus G protein coupled receptor kinase 1 0.0173 0.1364 0.2453

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 155.089 uM PubChem BioAssay. Absorbance-based biochemical high throughput dose response assay to identify inhibitors of Methionine sulfoxide reductase A (MsrA). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.4611 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 32.6294 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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.
 
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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