Detailed information for compound 1395291

Basic information

Technical information
  • TDR Targets ID: 1395291
  • Name: 2-[(2-methylphenoxy)methyl]-6-morpholin-4-yls ulfonyl-1H-benzimidazole
  • MW: 387.453 | Formula: C19H21N3O4S
  • H donors: 1 H acceptors: 3 LogP: 2.13 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccccc1OCc1nc2c([nH]1)ccc(c2)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C19H21N3O4S/c1-14-4-2-3-5-18(14)26-13-19-20-16-7-6-15(12-17(16)21-19)27(23,24)22-8-10-25-11-9-22/h2-7,12H,8-11,13H2,1H3,(H,20,21)
  • InChiKey: XUZZJUFXHPHBTR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(2-methylphenoxy)methyl]-6-morpholinosulfonyl-1H-benzimidazole
  • ZINC06277180
  • MLS000564206
  • SMR000151666

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
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
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium vivax 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
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi exodeoxyribonuclease III family protein 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Treponema pallidum exodeoxyribonuclease (exoA) 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis ap endonuclease, putative 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0715 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0715 0.372
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0105 0.0105
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0059 0.0059
Schistosoma mansoni hypothetical protein 0.0018 0.0044 0.0044
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0715 0.0646
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0302 0.0302
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0715 0.0715
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.042 0.042
Entamoeba histolytica hypothetical protein 0.0938 0.6498 0.6472
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0715 0.0715
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0089 0.0089
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0499 0.3416 0.3367
Echinococcus granulosus dUTP pyrophosphatase 0.1436 1 1
Onchocerca volvulus 0.0286 0.1923 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0429 0.0429
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0302 0.0302
Loa Loa (eye worm) hypothetical protein 0.0052 0.0276 0.0276
Loa Loa (eye worm) hypothetical protein 0.0046 0.024 0.024
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0311 0.0239
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1436 1 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.1679 0.1679
Schistosoma mansoni bromodomain containing protein 0.0076 0.0451 0.0451
Echinococcus multilocularis dUTP pyrophosphatase 0.1436 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1436 1 1
Loa Loa (eye worm) dUTP diphosphatase 0.1436 1 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0105 0.0105
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1436 1 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0429 0.5738
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0059 0.0059
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0715 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0074 0.0443
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0429 0.0429
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0499 0.3416 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0429 0.1063
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0715 0.0646
Trypanosoma brucei polo-like protein kinase 0.0114 0.0715 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0311 0.0239
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0312 0.0312
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0429 0.0429
Brugia malayi Pre-SET motif family protein 0.0036 0.0167 0.0167
Brugia malayi Bromodomain containing protein 0.0046 0.0239 0.0239
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0074 0.0443
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0312 0.0312
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.042 0.042
Entamoeba histolytica hypothetical protein 0.1436 1 1
Echinococcus multilocularis zinc finger protein 0.0024 0.008 0.008
Brugia malayi Bromodomain containing protein 0.0091 0.055 0.055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0302 0.0302
Entamoeba histolytica hypothetical protein 0.1436 1 1
Wolbachia endosymbiont of Brugia malayi deoxycytidine triphosphate deaminase 0.0499 0.3416 0.3367
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.1436 1 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0429 0.1063
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1436 1 1
Echinococcus granulosus zinc finger protein 0.0024 0.008 0.008
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1436 1 1
Schistosoma mansoni ap endonuclease 0.0023 0.0074 0.0074
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0219 0.0219
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0715 0.0646
Schistosoma mansoni kinase 0.0058 0.0321 0.0321
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0429 0.0429
Brugia malayi PHD-finger family protein 0.003 0.0126 0.0126
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0715 1
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.1436 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0302 0.0302
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0715 0.0646
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1436 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0715 0.0646
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0715 0.0646
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0715 0.0715
Loa Loa (eye worm) hypothetical protein 0.0085 0.0514 0.0514
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0429 0.1063
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0715 0.0646
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.1436 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0312 0.0312
Loa Loa (eye worm) hypothetical protein 0.0057 0.0312 0.0312
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1436 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0302 0.0302
Giardia lamblia Kinase, PLK 0.0114 0.0715 1
Schistosoma mansoni ap endonuclease 0.0023 0.0074 0.0074
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0074 0.0443
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0312 0.0312
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0167 0.0167
Plasmodium vivax SET domain protein, putative 0.0036 0.0167 0.0094
Entamoeba histolytica hypothetical protein 0.0499 0.3416 0.3367
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0499 0.3416 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0219 0.0219
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0158 0.0158
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0499 0.3416 0.5
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1436 1 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.026 0.026
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0302 0.0302
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0302 0.0302
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0715 0.0646
Trichomonas vaginalis set domain proteins, putative 0.0286 0.1923 0.1863
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0074 0.0443
Schistosoma mansoni zinc finger protein 0.0018 0.0044 0.0044
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0059 0.0059
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0499 0.3416 0.3367
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0167 0.0167
Onchocerca volvulus 0.0036 0.0167 0.0871
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0064 0.0064
Schistosoma mansoni zinc finger protein 0.0024 0.008 0.008
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0302 0.0302
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0074 0.0074
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0074 0.0074
Wolbachia endosymbiont of Brugia malayi dUTPase 0.1436 1 1
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1436 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0715 0.0715
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0074 0.0074
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0167 0.0094
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0429 0.1063
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0167 0.0167
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0429 0.0358
Schistosoma mansoni hypothetical protein 0.0025 0.0089 0.0089
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0302 0.0302
Brugia malayi Pre-SET motif family protein 0.0251 0.1679 0.1679
Entamoeba histolytica hypothetical protein 0.0938 0.6498 0.6472
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0074 0.0074
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0059 0.0059
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0715 0.0715
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0499 0.3416 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1436 1 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0105 0.0105

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.9953 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 9.4662 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 10 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
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Texas Red Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 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) 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) 21.1923 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation in Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of the vitamin D receptor (VDR): Hit Validation using a Fluorescein Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.929 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) 28.1838 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] 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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