Detailed information for compound 1394052

Basic information

Technical information
  • TDR Targets ID: 1394052
  • Name: N-(phenylmethyl)-2,3-dihydro-1,4-benzodioxine -7-carboxamide
  • MW: 269.295 | Formula: C16H15NO3
  • H donors: 1 H acceptors: 1 LogP: 2.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)OCCO2)NCc1ccccc1
  • InChi: 1S/C16H15NO3/c18-16(17-11-12-4-2-1-3-5-12)13-6-7-14-15(10-13)20-9-8-19-14/h1-7,10H,8-9,11H2,(H,17,18)
  • InChiKey: JJTHSVZFHVDTNT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(benzyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
  • CBMicro_028948
  • ZINC00118179
  • BIM-0029082.P001
  • Oprea1_122303
  • MLS000108121
  • SMR000104083
  • STK298403

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0078 0.0675 0.2378
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0318 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0318 0.1121
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Brugia malayi steroid hormone receptor 0.0078 0.0675 0.2378
Toxoplasma gondii ABC1 family protein 0.0043 0.0318 1
Echinococcus granulosus FTZ F1 alpha 0.0078 0.0675 0.2
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0318 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0103 0.325
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0318 0.0814
Echinococcus granulosus nuclear receptor nhr 48 0.0037 0.0249 0.0509
Brugia malayi ecdysone receptor 0.0037 0.0249 0.0877
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0041 0.0295 0.3343
Brugia malayi nuclear receptor RXR 0.0041 0.0295 0.1038
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0041 0.0295 0.3343
Onchocerca volvulus 0.0078 0.0675 0.192
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0078 0.0675 0.0577
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0675 0.2378
Mycobacterium tuberculosis Conserved protein 0.0043 0.0318 0.0814
Brugia malayi beta-lactamase family protein 0.0043 0.0318 0.1121
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.1038
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0078 0.0675 0.2
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0249 0.0877
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0078 0.0675 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0103 0.5
Brugia malayi Nuclear hormone receptor-like 1 0.0078 0.0675 0.2378
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0078 0.0675 0.2
Brugia malayi beta-lactamase family protein 0.0043 0.0318 0.1121
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.1038
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0318 0.0814
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0037 0.0249 0.2545
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0318 0.376
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0103 0.325
Loa Loa (eye worm) beta-lactamase 0.0043 0.0318 0.1121
Echinococcus multilocularis ecdysone induced protein 78C 0.0299 0.2961 0.2887
Leishmania major hypothetical protein, conserved 0.0043 0.0318 1
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0675 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0078 0.0675 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0078 0.0675 0.2378
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0249 0.0509
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0103 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0078 0.0675 0.2378
Schistosoma mansoni nuclear receptor 0.0037 0.0249 0.2545
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0318 0.376
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0103 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0675 0.2378
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0078 0.0675 0.2378
Loa Loa (eye worm) hypothetical protein 0.0078 0.0675 0.2378
Loa Loa (eye worm) steroid hormone receptor 0.0078 0.0675 0.2378
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0249 0.0147
Brugia malayi tailless protein 0.0037 0.0249 0.0877
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0318 0.0814
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0262 0.258 0.8669
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0675 0.2378
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0103 0.0365
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0249 0.0147
Brugia malayi photoreceptor-specific nuclear receptor 0.0078 0.0675 0.2378
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0103 0.325
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0078 0.0675 0.0577
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0318 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0318 0.0217
Mycobacterium leprae Probable lipase LipE 0.0043 0.0318 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0037 0.0249 0.2545
Echinococcus multilocularis nuclear receptor nhr 48 0.0037 0.0249 0.0147
Loa Loa (eye worm) nuclear receptor NHR-67 0.0037 0.0249 0.0877
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0103 0.0365
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0103 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0078 0.0675 0.2
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.2742 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0675 0.2
Brugia malayi Steroid receptor seven-up type 2 0.0078 0.0675 0.2378
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0078 0.0675 0.2
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0103 0.325
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.1038
Loa Loa (eye worm) hypothetical protein 0.0078 0.0675 0.2378
Schistosoma mansoni nuclear hormone receptor 0.0078 0.0675 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0318 1
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0318 0.0814
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0078 0.0675 0.0577
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0295 0.1038
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0318 0.0814
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0078 0.0675 0.2378
Onchocerca volvulus 0.0043 0.0318 0.0313
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0078 0.0675 1
Brugia malayi hypothetical protein 0.0041 0.0295 0.1038
Brugia malayi Nuclear hormone receptor-like 1 0.0041 0.0295 0.1038
Brugia malayi nuclear hormone receptor family member nhr-6 0.0037 0.0249 0.0877
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0318 1
Loa Loa (eye worm) nuclear hormone receptor 0.0037 0.0249 0.0877
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0078 0.0675 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Schistosoma mansoni nuclear receptor nhr-48 0.0037 0.0249 0.2545
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0078 0.0675 0.2378
Brugia malayi nuclear hormone receptor 0.0037 0.0249 0.0877
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0249 0.2545
Brugia malayi beta-lactamase 0.0043 0.0318 0.1121
Mycobacterium ulcerans lipase LipD 0.0043 0.0318 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0078 0.0675 0.2378
Loa Loa (eye worm) hypothetical protein 0.0078 0.0675 0.2378
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0037 0.0249 0.0147
Schistosoma mansoni zinc finger protein 0.0037 0.0249 0.2545
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0078 0.0675 0.2378
Echinococcus granulosus thyroid hormone receptor alpha 0.0037 0.0249 0.0509
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.1038
Brugia malayi follicle stimulating hormone receptor 0.0287 0.2839 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0318 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0318 0.1121
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0078 0.0675 0.2378
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0078 0.0675 0.2378
Schistosoma mansoni RAR-like nuclear receptor 0.0078 0.0675 1
Trichomonas vaginalis esterase, putative 0.0043 0.0318 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0078 0.0675 0.2
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0078 0.0675 0.192
Onchocerca volvulus Bile acid receptor homolog 0.0251 0.2468 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0078 0.0675 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0287 0.2839 1
Mycobacterium ulcerans beta-lactamase 0.0043 0.0318 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0318 0.1121
Loa Loa (eye worm) hypothetical protein 0.0251 0.2468 0.8694
Brugia malayi nuclear receptor NHR-88 0.0037 0.0249 0.0877
Brugia malayi Nuclear hormone receptor E75 0.0037 0.0249 0.0877
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0318 0.0752
Schistosoma mansoni coup transcription factor 0.0078 0.0675 1
Brugia malayi nuclear hormone receptor 0.0078 0.0675 0.2378
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Brugia malayi nuclear receptor RXR 0.0037 0.0249 0.0877
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0249 0.2545
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0318 1
Onchocerca volvulus 0.0043 0.0318 0.0313
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0037 0.0249 0.0877
Loa Loa (eye worm) DR-78 0.0037 0.0249 0.0877
Onchocerca volvulus 0.0043 0.0318 0.0313
Loa Loa (eye worm) hypothetical protein 0.0043 0.0318 0.1121
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0318 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0078 0.0675 0.0577
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0318 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0249 0.0509
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0041 0.0295 0.1038
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0078 0.0675 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0318 1
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0318 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0078 0.0675 0.2
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0037 0.0249 0.0147
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0318 1
Mycobacterium tuberculosis Conserved protein 0.0043 0.0318 0.0814
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0103 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0675 0.0577
Echinococcus multilocularis thyroid hormone receptor alpha 0.0078 0.0675 0.0577
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0037 0.0249 0.0509
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0078 0.0675 0.0577
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0078 0.0675 0.2378
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0262 0.258 0.2503
Echinococcus granulosus ecdysone induced protein 78C 0.0299 0.2961 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0078 0.0675 0.2378
Loa Loa (eye worm) hypothetical protein 0.0043 0.0318 0.1121
Onchocerca volvulus Protein ultraspiracle homolog 0.0078 0.0675 0.192
Brugia malayi hypothetical protein 0.0037 0.0249 0.0877
Echinococcus granulosus Nuclear hormone receptor HR96 0.0037 0.0249 0.0509
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0078 0.0675 0.2378
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0037 0.0249 0.0147
Brugia malayi nuclear receptor NHR-88 0.0078 0.0675 0.2378
Brugia malayi hypothetical protein 0.0037 0.0249 0.0877
Brugia malayi conserved hypotetical protein 0.0037 0.0249 0.0877
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0037 0.0249 0.0877
Loa Loa (eye worm) hypothetical protein 0.0043 0.0318 0.1121
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0078 0.0675 0.2378
Brugia malayi hypothetical protein 0.0041 0.0295 0.1038
Schistosoma mansoni nuclear receptor 0.0037 0.0249 0.2545
Loa Loa (eye worm) hypothetical protein 0.0078 0.0675 0.2378
Mycobacterium ulcerans hypothetical protein 0.0043 0.0318 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0318 0.1121
Loa Loa (eye worm) hypothetical protein 0.0037 0.0249 0.0877
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0078 0.0675 0.2378
Loa Loa (eye worm) hypothetical protein 0.0078 0.0675 0.2378
Brugia malayi nuclear hormone receptor family member odr-7 0.0037 0.0249 0.0877
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0078 0.0675 0.2378
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0318 0.0814
Schistosoma mansoni thyroid hormone receptor 0.0078 0.0675 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0078 0.0675 0.2378
Mycobacterium tuberculosis Conserved protein 0.0043 0.0318 0.0814
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0318 0.0814
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0318 0.1121
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0103 0.325
Schistosoma mansoni steroid hormone receptor ad4bp 0.0078 0.0675 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0295 0.1038
Brugia malayi nuclear receptor NHR-67 0.0037 0.0249 0.0877
Schistosoma mansoni retinoic acid receptor RXR 0.0078 0.0675 1
Echinococcus multilocularis FTZ F1 alpha 0.0078 0.0675 0.0577
Loa Loa (eye worm) hypothetical protein 0.0078 0.0675 0.2378
Brugia malayi orphan nuclear receptor NR2E1 0.0037 0.0249 0.0877
Loa Loa (eye worm) hypothetical protein 0.0078 0.0675 0.2378
Brugia malayi ecdysteroid receptor 0.0251 0.2468 0.8694

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0002 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 23.1093 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 29.0929 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 (functional) 33.8078 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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