Detailed information for compound 1354299

Basic information

Technical information
  • TDR Targets ID: 1354299
  • Name: methyl 5-(2-methoxy-2-oxoethyl)-2-sulfanylide ne-1,3-dihydroimidazole-4-carboxylate
  • MW: 230.241 | Formula: C8H10N2O4S
  • H donors: 1 H acceptors: 3 LogP: 0.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)Cc1[nH]c(nc1C(=O)OC)S
  • InChi: 1S/C8H10N2O4S/c1-13-5(11)3-4-6(7(12)14-2)10-8(15)9-4/h3H2,1-2H3,(H2,9,10,15)
  • InChiKey: HRUBYRXAWQGNAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 5-(2-methoxy-2-oxo-ethyl)-2-thioxo-1,3-dihydroimidazole-4-carboxylate
  • 5-(2-methoxy-2-oxoethyl)-2-thioxo-1,3-dihydroimidazole-4-carboxylic acid methyl ester
  • 5-(2-keto-2-methoxy-ethyl)-2-thioxo-1,3-dihydroimidazole-4-carboxylic acid methyl ester
  • methyl 5-(2-methoxy-2-oxo-ethyl)-2-sulfanylidene-1,3-dihydroimidazole-4-carboxylate
  • 92203-78-6
  • NSC34774
  • MLS000738086
  • SMR000393852

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
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens RAN, member RAS oncogene family No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, 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
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi exodeoxyribonuclease III family 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
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ap 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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 multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum exodeoxyribonuclease (exoA) 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
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
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 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0061 0.0785 0.0785
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0061 0.0785 0.0785
Loa Loa (eye worm) hypothetical protein 0.0043 0.0257 0.0257
Brugia malayi Carboxylesterase family protein 0.0061 0.0785 0.0807
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0257 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0257 0.0257
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0257 0.0257
Onchocerca volvulus 0.0061 0.0785 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0061 0.0785 0.0574
Onchocerca volvulus 0.0043 0.0257 0.3176
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0061 0.0785 0.0785
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0257 0.0264
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7211 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.4084 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0011 0.0011
Brugia malayi Carboxylesterase family protein 0.0061 0.0785 0.0807
Loa Loa (eye worm) hypothetical protein 0.0363 0.9727 0.9727
Echinococcus multilocularis acetylcholinesterase 0.0363 0.9727 0.9727
Brugia malayi jmjC domain containing protein 0.0115 0.2389 0.2456
Loa Loa (eye worm) hypothetical protein 0.006 0.0758 0.0758
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0257 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2389 0.2389
Loa Loa (eye worm) hypothetical protein 0.0061 0.0785 0.0785
Onchocerca volvulus 0.0043 0.0257 0.3176
Echinococcus granulosus neuroligin 0.0061 0.0785 0.0785
Brugia malayi hypothetical protein 0.0061 0.0785 0.0807
Echinococcus multilocularis para nitrobenzyl esterase 0.0061 0.0785 0.0785
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2389 0.2389
Loa Loa (eye worm) carboxylesterase 0.0061 0.0785 0.0785
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0231 0.0231
Echinococcus multilocularis carboxylesterase 5A 0.0363 0.9727 0.9727
Loa Loa (eye worm) hypothetical protein 0.0035 0.0011 0.0011
Brugia malayi glutaminase DH11.1 0.033 0.8765 0.9011
Brugia malayi RNA, U transporter 1 0.0099 0.1906 0.1959
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0257 0.0257
Echinococcus multilocularis neuroligin 0.0061 0.0785 0.0785
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.9443 0.5
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.9443 1
Brugia malayi Carboxylesterase family protein 0.0061 0.0785 0.0807
Echinococcus multilocularis acetylcholinesterase 0.0363 0.9727 0.9727
Schistosoma mansoni hypothetical protein 0.0205 0.504 0.504
Loa Loa (eye worm) hypothetical protein 0.0061 0.0785 0.0785
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0061 0.0785 0.0759
Loa Loa (eye worm) acetylcholinesterase 1 0.0363 0.9727 0.9727
Plasmodium falciparum phd finger protein, putative 0.0035 0.0011 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.9443 0.5
Echinococcus granulosus BC026374 protein S09 family 0.0061 0.0785 0.0785
Toxoplasma gondii ABC1 family protein 0.0043 0.0257 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0231 0.0231
Echinococcus multilocularis BC026374 protein (S09 family) 0.0061 0.0785 0.0785
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0421 0.0421
Mycobacterium tuberculosis Carboxylesterase LipT 0.0061 0.0785 0.0759
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.9443 1
Echinococcus granulosus carboxylesterase 5A 0.0363 0.9727 0.9727
Onchocerca volvulus 0.0061 0.0785 1
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0421 0.0421
Brugia malayi Carboxylesterase family protein 0.0061 0.0785 0.0807
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.9443 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0257 1
Loa Loa (eye worm) hypothetical protein 0.0363 0.9727 0.9727
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1686 0.1686
Mycobacterium ulcerans carboxylesterase, LipT 0.0061 0.0785 0.062
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.9443 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0257 0.0257
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0231 0.0231
Echinococcus granulosus peregrin 0.0035 0.0011 0.0011
Schistosoma mansoni glutaminase 0.033 0.8765 0.8765
Echinococcus granulosus geminin 0.0205 0.504 0.504
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.9443 1
Echinococcus multilocularis geminin 0.0205 0.504 0.504
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0231 0.0231
Echinococcus multilocularis snurportin 1 0.0372 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0043 0.0257 0.0257
Brugia malayi beta-lactamase family protein 0.0043 0.0257 0.0264
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1124 0.1124
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0011 0.0011
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0257 0.0257
Loa Loa (eye worm) glutaminase 2 0.033 0.8765 0.8765
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0257 1
Leishmania major hypothetical protein, conserved 0.0043 0.0257 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.9443 1
Schistosoma mansoni gliotactin 0.0061 0.0785 0.0785
Echinococcus granulosus para nitrobenzyl esterase 0.0061 0.0785 0.0785
Loa Loa (eye worm) hypothetical protein 0.0061 0.0785 0.0785
Loa Loa (eye worm) hypothetical protein 0.0061 0.0785 0.0785
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0061 0.0785 0.0785
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0011 0.0445
Brugia malayi Bromodomain containing protein 0.0035 0.0011 0.0012
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0043 0.0257 0.0257
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0257 0.0257
Trichomonas vaginalis glutaminase, putative 0.033 0.8765 0.9262
Brugia malayi PHD-finger family protein 0.0035 0.0011 0.0012
Loa Loa (eye worm) hypothetical protein 0.0043 0.0257 0.0257
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0011 0.0445
Schistosoma mansoni hypothetical protein 0.0035 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.0061 0.0785 0.0785
Schistosoma mansoni acetylcholinesterase 0.0061 0.0785 0.0785
Loa Loa (eye worm) carboxylesterase 0.0061 0.0785 0.0785
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0061 0.0785 0.0785
Schistosoma mansoni BC026374 protein (S09 family) 0.0061 0.0785 0.0785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.9443 1
Echinococcus granulosus acetylcholinesterase 0.0363 0.9727 0.9727
Schistosoma mansoni hypothetical protein 0.0205 0.504 0.504
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.4084 0.5503
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0363 0.9727 0.9727
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0011 0.0445
Mycobacterium ulcerans glutaminase 0.033 0.8765 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0231 0.0231
Trichomonas vaginalis spcc417.12 protein, putative 0.0061 0.0785 0.0574
Onchocerca volvulus 0.0061 0.0785 1
Echinococcus multilocularis peregrin 0.0035 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0372 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0257 0.0257
Brugia malayi beta-lactamase 0.0043 0.0257 0.0264
Onchocerca volvulus 0.0061 0.0785 1
Brugia malayi Carboxylesterase family protein 0.0363 0.9727 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.4084 0.4498
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0061 0.0785 0.0759
Loa Loa (eye worm) hypothetical protein 0.0061 0.0785 0.0785
Brugia malayi Carboxylesterase family protein 0.0363 0.9727 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0061 0.0785 0.0785
Onchocerca volvulus 0.0061 0.0785 1
Loa Loa (eye worm) carboxylesterase 0.0363 0.9727 0.9727
Brugia malayi beta-lactamase family protein 0.0043 0.0257 0.0264
Schistosoma mansoni neuroligin 3 (S09 family) 0.0061 0.0785 0.0785
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.9443 1
Echinococcus granulosus acetylcholinesterase 0.0363 0.9727 0.9727
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.9443 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.9443 1
Loa Loa (eye worm) glutaminase 0.033 0.8765 0.8765
Onchocerca volvulus 0.0043 0.0257 0.3176
Loa Loa (eye worm) hypothetical protein 0.0043 0.0257 0.0257
Brugia malayi jmjC domain containing protein 0.0043 0.0231 0.0238

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 3.1623 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) 3.6626 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 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) = 17.7407 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 18.526 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) = 56.2341 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) 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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