Detailed information for compound 436172

Basic information

Technical information
  • TDR Targets ID: 436172
  • Name: 1-$l^{1}-oxidanyl-4,4,5,5-tetramethyl-2-(4-ni trophenyl)-3-oxidoimidazol-3-ium
  • MW: 278.284 | Formula: C13H16N3O4
  • H donors: 1 H acceptors: 4 LogP: 1.06 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(cc1)C1=[N+]([O-])C(C(N1[O])(C)C)(C)C
  • InChi: 1S/C13H16N3O4/c1-12(2)13(3,4)15(18)11(14(12)17)9-5-7-10(8-6-9)16(19)20/h5-8H,1-4H3
  • InChiKey: BVNMZQREQCFTOC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-$l^{1}-oxidanyl-4,4,5,5-tetramethyl-2-(4-nitrophenyl)-3-oxido-imidazol-3-ium
  • 1-$l^{1}-oxidanyl-4,4,5,5-tetramethyl-2-(4-nitrophenyl)-3-oxidanidyl-imidazol-3-ium
  • 1-$l^{1}-oxidanyl-4,4,5,5-tetramethyl-2-(4-nitrophenyl)-3-oxido-2-imidazolin-3-ium

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia Prolyl-tRNA synthetase 0.0032 0.0424 0.1002
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0448 0.4312
Mycobacterium ulcerans non-heme haloperoxidase Hpx 0.0049 0.0809 0.077
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0505 0.1287
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0125 0.2528 0.2808
Mycobacterium leprae Probable lipase LipE 0.0035 0.0505 0.1287
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0448 0.4312
Mycobacterium ulcerans hydrolase 0.0049 0.0809 0.077
Schistosoma mansoni family S33 non-peptidase homologue (S33 family) 0.0049 0.0809 0.2124
Brugia malayi Hypothetical 54.7 kDa protein F37A4.1 in chromosome III 0.0049 0.0809 0.2056
Echinococcus multilocularis calcium dependent protein kinase 0.0031 0.0393 0.1262
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0134 0.0241
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0123 0.0857
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0134 0.0974
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0134 0.0093
Plasmodium vivax hypothetical protein, conserved 0.0049 0.0809 0.0779
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0125 0.2528 0.2808
Mycobacterium ulcerans haloalkane dehalogenase 0.0049 0.0809 0.077
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0172 0.3579 0.3595
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0943 0.2444
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0184 0.3856 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0184 0.3856 0.383
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0943 0.1017
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0809 0.8136
Mycobacterium leprae Possible short-chain dehydrogenase EphD 0.0049 0.0809 0.242
Mycobacterium ulcerans acyl-CoA synthetase 0.0049 0.0809 0.077
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Mycobacterium tuberculosis Conserved protein 0.0049 0.0809 0.0866
Schistosoma mansoni ap endonuclease 0.0019 0.0123 0.0224
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0984 0.2471
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0134 0.0974
Loa Loa (eye worm) hypothetical protein 0.009 0.1724 0.447
Loa Loa (eye worm) hypothetical protein 0.0035 0.0505 0.1309
Leishmania major hydrolase, alpha/beta fold family, putative 0.0049 0.0809 0.8136
Echinococcus granulosus General substrate transporter 0.0091 0.1765 0.6186
Schistosoma mansoni glucose transport protein 0.0106 0.2102 0.5707
Mycobacterium tuberculosis Conserved protein 0.0035 0.0505 0.0523
Mycobacterium ulcerans proline iminopeptidase PIP 0.0049 0.0809 0.077
Loa Loa (eye worm) hypothetical protein 0.0035 0.0505 0.1309
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0042 0.0109
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0049 0.0809 0.0866
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0172 0.3579 0.5495
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1911 0.6708
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0134 0.0092
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.0049 0.0809 0.8136
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0033 0.0439 0.1425
Loa Loa (eye worm) glutathione reductase 0.0055 0.0943 0.2444
Brugia malayi beta-lactamase family protein 0.0035 0.0505 0.1264
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0505 0.1309
Echinococcus granulosus calcium dependent protein kinase 0.0031 0.0393 0.1262
Loa Loa (eye worm) beta-lactamase 0.0035 0.0505 0.1309
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.0049 0.0809 0.8136
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0134 0.0974
Loa Loa (eye worm) hypothetical protein 0.0035 0.0505 0.1309
Mycobacterium tuberculosis Possible epoxide hydrolase EphE (epoxide hydratase) (arene-oxide hydratase) 0.0049 0.0809 0.0866
Toxoplasma gondii ABC1 family protein 0.0035 0.0505 0.0719
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0123 0.8797
Mycobacterium ulcerans hypothetical protein 0.0049 0.0809 0.077
Mycobacterium leprae POSSIBLE SECRETED PROTEASE 0.0049 0.0809 0.242
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0439 0.1425
Loa Loa (eye worm) hypothetical protein 0.0033 0.0439 0.1138
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0943 0.9555
Echinococcus multilocularis lysyl tRNA synthetase 0.0024 0.024 0.0711
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0505 0.0523
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0184 0.3856 1
Brugia malayi Sugar transporter family protein 0.0106 0.2102 0.5429
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0439 0.1425
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0809 0.2011
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.0139 0.2828 1
Leishmania major glucose transporter, lmgt3 0.0033 0.0448 0.4312
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.024 0.0549
Brugia malayi beta-lactamase family protein 0.0035 0.0505 0.1264
Toxoplasma gondii alpha/beta hydrolase, putative 0.0049 0.0809 0.1191
Brugia malayi hydrolase, alpha/beta fold family protein 0.0049 0.0809 0.2056
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0033 0.0439 0.4212
Trypanosoma cruzi hydrolase-like protein, putative 0.0049 0.0809 0.8136
Trypanosoma brucei glucose transporter, putative 0.0033 0.0448 0.4312
Mycobacterium ulcerans exported protease 0.0049 0.0809 0.077
Mycobacterium ulcerans beta-lactamase 0.0035 0.0505 0.0465
Plasmodium falciparum calcium-dependent protein kinase 2 0.0033 0.0439 0.0404
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0809 0.2011
Onchocerca volvulus Lipase homolog 0.0139 0.2828 0.7304
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0033 0.0439 0.1138
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0809 0.2011
Mycobacterium tuberculosis Conserved protein 0.0035 0.0505 0.0523
Schistosoma mansoni serine/threonine protein kinase 0.0033 0.0439 0.11
Mycobacterium leprae Probable exported protease 0.0049 0.0809 0.242
Plasmodium falciparum calcium-dependent protein kinase 3 0.0033 0.0439 0.0404
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0543 0.5319
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0505 0.1264
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0505 0.1661
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0134 0.0974
Loa Loa (eye worm) hydrolase 0.0049 0.0809 0.2097
Leishmania major hypothetical protein, conserved 0.0049 0.0809 0.8136
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0134 0.0974
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0505 0.0465
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0123 0.0212
Entamoeba histolytica alpha/beta hydrolase domain protein, putative 0.0049 0.0809 0.1838
Mycobacterium ulcerans oxidoreductase 0.0049 0.0809 0.077
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0049 0.0809 0.2011
Mycobacterium ulcerans hypothetical protein 0.0049 0.0809 0.077
Toxoplasma gondii exonuclease III APE 0.0019 0.0123 0.0125
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0984 1
Plasmodium falciparum protein kinase 6 0.0451 0.9881 1
Trypanosoma cruzi hydrolase-like protein, putative 0.0049 0.0809 0.8136
Mycobacterium ulcerans lipase LipD 0.0035 0.0505 0.0465
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0134 0.0143
Plasmodium vivax hexose transporter 0.0106 0.2102 0.2094
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0505 0.0523
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0123 0.0212
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0134 0.0974
Schistosoma mansoni hypothetical protein 0.0106 0.2102 0.5707
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0134 0.0974
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0123 0.0857
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0134 0.0974
Toxoplasma gondii thioredoxin reductase 0.0055 0.0943 0.1399
Plasmodium vivax proline--tRNA ligase, putative 0.0037 0.0543 0.051
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0134 1
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0134 0.0093
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0424 0.1059
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0098 0.1911 0.4955
Mycobacterium ulcerans epoxide hydrolase EphB 0.0049 0.0809 0.077
Leishmania major trypanothione reductase 0.0055 0.0943 0.9555
Leishmania major hydrolase, alpha/beta fold family-like protein 0.0049 0.0809 0.8136
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0943 0.3233
Plasmodium vivax hypothetical protein, conserved 0.0049 0.0809 0.0779
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1911 0.6708
Brugia malayi beta-lactamase 0.0035 0.0505 0.1264
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Toxoplasma gondii facilitative glucose transporter GT1 0.0106 0.2102 0.3201
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0032 0.0424 0.1054
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0032 0.0424 0.1002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0184 0.3856 1
Echinococcus multilocularis lysosomal acid lipase:cholesteryl ester 0.0139 0.2828 1
Schistosoma mansoni protein kinase 0.0033 0.0439 0.11
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0123 0.029
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0125 0.2528 0.2808
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.2102 0.7396
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0033 0.0439 0.1138
Entamoeba histolytica protein kinase, putative 0.0033 0.0439 0.0847
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0134 0.0974
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0505 0.1214
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0543 0.5319
Mycobacterium tuberculosis 4,9-DHSA hydrolase 0.0408 0.8896 1
Entamoeba histolytica hypothetical protein 0.0024 0.024 0.0314
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0127 0.2576 0.2862
Plasmodium vivax lysine--tRNA ligase, putative 0.0024 0.024 0.0201
Plasmodium vivax calcium-dependent protein kinase, putative 0.0033 0.0439 0.0404
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0134 0.0974
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1911 0.5176
Trypanosoma cruzi hexose transporter 0.0033 0.0448 0.4312
Schistosoma mansoni protein kinase 0.0033 0.0439 0.11
Brugia malayi hypothetical protein 0.0015 0.0042 0.0057
Plasmodium falciparum thioredoxin reductase 0.0055 0.0943 0.0915
Trypanosoma brucei glucose transporter, putative 0.0033 0.0448 0.4312
Plasmodium falciparum proline--tRNA ligase 0.0037 0.0543 0.051
Onchocerca volvulus 0.0035 0.0505 0.1214
Loa Loa (eye worm) hypothetical protein 0.0024 0.024 0.0622
Brugia malayi glutathione reductase 0.0055 0.0943 0.2405
Trypanosoma brucei glucose transporter 1E 0.0033 0.0448 0.4312
Onchocerca volvulus 0.0035 0.0505 0.1214
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0134 0.0974
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0809 0.2011
Entamoeba histolytica hypothetical protein 0.0049 0.0809 0.1838
Loa Loa (eye worm) abhydrolase domain-containing protein 2 0.0049 0.0809 0.2097
Brugia malayi Sugar transporter family protein 0.0015 0.0042 0.0057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0098 0.1911 0.6708
Brugia malayi Cam kinase protein 1 0.0033 0.0439 0.1092
Loa Loa (eye worm) hypothetical protein 0.0032 0.0424 0.11
Mycobacterium tuberculosis Possible short-chain dehydrogenase EphD 0.0049 0.0809 0.0866
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0123 0.0091
Brugia malayi lysyl-tRNA synthetase 0.0024 0.024 0.0574
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.3856 1
Giardia lamblia ENC6 protein 0.0049 0.0809 0.2011
Entamoeba histolytica alpha/beta hydrolase fold protein, putative 0.0049 0.0809 0.1838
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.2102 0.7396
Trichomonas vaginalis conserved hypothetical protein 0.0106 0.2102 0.5402
Mycobacterium ulcerans lipase/esterase 0.0049 0.0809 0.077
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0134 0.033
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0448 0.1066
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0809 0.2011
Plasmodium falciparum calcium-dependent protein kinase 5 0.0033 0.0439 0.0404
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0184 0.3856 1
Trichomonas vaginalis esterase, putative 0.0035 0.0505 0.1214
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.2102 0.7396
Mycobacterium leprae POSSIBLE EPOXIDE HYDROLASE EPHE (EPOXIDE HYDRATASE) (ARENE-OXIDE HYDRATASE) 0.0049 0.0809 0.242
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0032 0.0424 0.0807
Echinococcus granulosus lysyl tRNA synthetase 0.0024 0.024 0.0711
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0184 0.3856 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0123 0.0212
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0505 0.0523
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0943 0.0915
Treponema pallidum NADH oxidase 0.0019 0.0134 1
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0033 0.0439 0.0617
Loa Loa (eye worm) major facilitator superfamily transporter 0.0015 0.0042 0.0109
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0505 0.0523
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.3856 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0024 0.024 0.0519
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0505 0.0465
Mycobacterium ulcerans epoxide hydrolase EphE 0.0049 0.0809 0.077
Trypanosoma brucei glucose transporter, putative 0.0033 0.0448 0.4312
Mycobacterium tuberculosis Probable exported protease 0.0049 0.0809 0.0866
Leishmania major protein kinase, putative 0.0033 0.0439 0.4212
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0505 0.4911
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0033 0.0439 0.0404
Schistosoma mansoni lipase 1 0.009 0.1724 0.4659
Mycobacterium ulcerans bromoperoxidase BpoC 0.0049 0.0809 0.077
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0543 0.5319
Schistosoma mansoni lipase 1 0.009 0.1724 0.4659
Plasmodium vivax CDK-related protein kinase 6, putative 0.0451 0.9881 1
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.2102 0.7396
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0134 0.0104
Leishmania major hydrolase-like protein 0.0049 0.0809 0.8136
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0448 0.1066
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0505 0.1661
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0448 0.1066
Loa Loa (eye worm) hypothetical protein 0.0032 0.0424 0.11
Echinococcus multilocularis General substrate transporter 0.0091 0.1765 0.6186
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0134 0.0974
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0505 0.1214
Mycobacterium ulcerans hypothetical protein 0.0049 0.0809 0.077
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Onchocerca volvulus Epoxide hydrolase 1 homolog 0.0049 0.0809 0.2011
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0134 0.0974
Mycobacterium tuberculosis Conserved protein 0.0035 0.0505 0.0523
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0943 0.3233
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0134 0.0241
Leishmania major hypothetical protein, conserved 0.0049 0.0809 0.8136
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.2102 0.7396
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0134 0.0093
Loa Loa (eye worm) sugar transporter 0.0106 0.2102 0.5452
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0439 0.1425
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0809 0.8136
Loa Loa (eye worm) ab-hydrolase associated lipase region family protein 0.0139 0.2828 0.7333
Trypanosoma brucei hydrolase, alpha/beta fold family, putative 0.0049 0.0809 0.8136
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0033 0.0439 0.0617
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0106 0.2102 0.7396
Entamoeba histolytica protein kinase, putative 0.0033 0.0439 0.0847
Brugia malayi hypothetical protein 0.0015 0.0042 0.0057
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0134 0.0254
Schistosoma mansoni protein kinase 0.0033 0.0439 0.11
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0448 0.4312
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0139 0.2843 0.3164
Mycobacterium tuberculosis Probable oxidoreductase 0.0139 0.2843 0.3164
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0439 0.1425
Loa Loa (eye worm) hypothetical protein 0.0035 0.0505 0.1309
Loa Loa (eye worm) hypothetical protein 0.009 0.1724 0.447
Schistosoma mansoni ap endonuclease 0.0019 0.0123 0.0224
Loa Loa (eye worm) sugar transporter 0.0015 0.0042 0.0109
Mycobacterium ulcerans epoxide hydrolase EphA 0.0049 0.0809 0.077
Echinococcus multilocularis abhydrolase domain containing protein 0.0049 0.0809 0.2753
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0098 0.1911 0.4929
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0984 1
Trypanosoma cruzi hydrolase-like protein 0.0049 0.0809 0.8136
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.3856 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0505 0.1214
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0505 0.1282
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0134 0.0092
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0439 0.1425
Giardia lamblia Lysyl-tRNA synthetase 0.0024 0.024 0.0519
Plasmodium falciparum lysine--tRNA ligase 0.0024 0.024 0.0201
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0021 0.0174 0.0346
Loa Loa (eye worm) hypothetical protein 0.0035 0.0505 0.1309
Mycobacterium ulcerans hydrolase 0.0049 0.0809 0.077
Echinococcus multilocularis abhydrolase domain containing 3 0.0049 0.0809 0.2753
Trypanosoma brucei glucose transporter, putative 0.0033 0.0448 0.4312
Plasmodium falciparum calcium-dependent protein kinase 1 0.0033 0.0439 0.0404
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0042 0.0057
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0125 0.2528 0.2808
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0024 0.024 0.0301
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.3856 1
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0448 0.4312
Mycobacterium leprae Probable exported protease 0.0049 0.0809 0.242
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.002 0.0159 0.0133
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1911 0.5176
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0505 0.0523
Plasmodium falciparum thioredoxin reductase 0.0019 0.0134 0.0093
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0139 0.2843 0.3164
Mycobacterium tuberculosis Probable haloalkane dehalogenase 0.0049 0.0809 0.0866
Plasmodium falciparum acid cluster protein 33 homologue, putative 0.0049 0.0809 0.0779
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0037 0.0543 0.5319
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0037 0.0543 0.0779
Plasmodium falciparum mitogen-activated protein kinase 2 0.0172 0.3579 0.3595
Brugia malayi hydrolase, alpha/beta fold family protein 0.0049 0.0809 0.2056
Trypanosoma brucei THT1 - hexose transporter, putative 0.0033 0.0448 0.4312
Mycobacterium ulcerans homoserine O-acetyltransferase 0.0049 0.0809 0.077
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0098 0.1911 0.5176
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0134 0.0297
Brugia malayi major facilitator superfamily protein 0.0015 0.0042 0.0057
Mycobacterium tuberculosis Probable dehydrogenase 0.0125 0.2528 0.2808
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Trypanosoma brucei glucose transporter, putative 0.0033 0.0448 0.4312
Echinococcus multilocularis abhydrolase domain containing protein 16A 0.0049 0.0809 0.2753
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0123 0.0857
Echinococcus granulosus abhydrolase domain containing protein 3 0.0049 0.0809 0.2753
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0032 0.0424 0.1059
Plasmodium falciparum hexose transporter 0.0106 0.2102 0.2094
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.024 0.0199
Schistosoma mansoni lysyl-tRNA synthetase 0.0024 0.024 0.0549
Plasmodium vivax hypothetical protein, conserved 0.0049 0.0809 0.0779
Onchocerca volvulus 0.0184 0.3856 1
Toxoplasma gondii homoserine O-acetyltransferase, putative 0.0049 0.0809 0.1191
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0123 0.029
Brugia malayi hypothetical protein 0.0015 0.0042 0.0057
Toxoplasma gondii protein kinase, putative 0.03 0.6479 1
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0505 0.0523
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0123 0.0082
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.4816 0.5392
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0033 0.0439 0.0404
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0505 0.1214
Chlamydia trachomatis lysine--tRNA ligase 0.0024 0.024 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Echinococcus multilocularis abhydrolase domain containing protein 11 0.0049 0.0809 0.2753
Loa Loa (eye worm) hypothetical protein 0.0026 0.0289 0.075
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0134 0.0241
Echinococcus granulosus abhydrolase domain containing protein 0.0049 0.0809 0.2753
Mycobacterium ulcerans haloalkane dehalogenase 0.0049 0.0809 0.077
Mycobacterium leprae Probable homoserine o-acetyltransferase MetA 0.0049 0.0809 0.242
Trypanosoma brucei glucose transporter 2A 0.0033 0.0448 0.4312
Plasmodium falciparum glutathione reductase 0.0019 0.0134 0.0093
Onchocerca volvulus Lipase homolog 0.0139 0.2828 0.7304
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0134 0.0974
Mycobacterium tuberculosis Probable homoserine O-acetyltransferase MetA (homoserine O-trans-acetylase) (homoserine transacetylase) (HTA) 0.0049 0.0809 0.0866
Mycobacterium tuberculosis Probable oxidoreductase 0.0049 0.0809 0.0866
Trypanosoma cruzi hypothetical protein, conserved 0.0049 0.0809 0.8136
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0134 0.0974
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0033 0.0439 0.0404
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.002 0.0159 0.0133
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0134 0.0092
Trypanosoma brucei glucose transporter, putative 0.0033 0.0448 0.4312
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0134 1
Mycobacterium tuberculosis Possible epoxide hydrolase EphF (epoxide hydratase) (arene-oxide hydratase) 0.0049 0.0809 0.0866
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0134 0.0143
Plasmodium vivax alpha/beta hydrolase, putative 0.0049 0.0809 0.0779
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0098 0.1911 0.6708
Leishmania major hydrolase-like protein,esterase-like protein 0.0049 0.0809 0.8136
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0106 0.2102 0.7396
Mycobacterium ulcerans hypothetical protein 0.0035 0.0505 0.0465
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0037 0.0543 0.5319
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0032 0.0424 0.1054
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0184 0.3856 1
Plasmodium falciparum calcium-dependent protein kinase 4 0.0033 0.0439 0.0404
Leishmania major serine peptidase, putative,serine peptidase, Clan SC, Family S9D 0.0049 0.0809 0.8136
Mycobacterium tuberculosis Possible peroxidase BpoB (non-haem peroxidase) 0.0049 0.0809 0.0866
Mycobacterium tuberculosis Possible haloalkane dehalogenase DhaA (1-chlorohexane halidohydrolase) 0.0049 0.0809 0.0866
Onchocerca volvulus 0.0035 0.0505 0.1214
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0123 0.0318
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Echinococcus granulosus lysosomal acid lipase:cholesteryl ester 0.0139 0.2828 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0134 0.0974
Mycobacterium ulcerans exported protease 0.0049 0.0809 0.077
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0024 0.024 0.0199
Trichomonas vaginalis glucose transporter, putative 0.0033 0.0448 0.1066
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0448 0.1066
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0123 0.0081
Plasmodium falciparum alpha/beta hydrolase, putative 0.0049 0.0809 0.0779
Plasmodium falciparum protein kinase 7 0.03 0.6479 0.6542
Toxoplasma gondii lysine-tRNA ligase 0.0024 0.024 0.0308
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0042 0.0057
Leishmania major hypothetical protein, conserved 0.0057 0.0984 1
Mycobacterium ulcerans lipase/esterase 0.0049 0.0809 0.077
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0033 0.0439 0.1425
Trypanosoma cruzi hexose transporter, putative 0.0018 0.0111 0.0736
Mycobacterium ulcerans short chain dehydrogenase 0.0049 0.0809 0.077
Trichomonas vaginalis CAMK family protein kinase 0.0033 0.0439 0.1041
Trypanosoma brucei glucose transporter, putative 0.0033 0.0448 0.4312
Brugia malayi alpha/beta hydrolase 0.0049 0.0809 0.2056
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0134 0.0093
Brugia malayi Sugar transporter family protein 0.0015 0.0042 0.0057
Mycobacterium tuberculosis Possible haloalkane dehalogenase 0.0049 0.0809 0.0866
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0057 0.0984 0.2471
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0024 0.024 0.2101
Loa Loa (eye worm) hypothetical protein 0.0015 0.0042 0.0109
Leishmania major hypothetical protein, conserved 0.0035 0.0505 0.4911
Mycobacterium ulcerans lignin peroxidase LipJ 0.0049 0.0809 0.077
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0033 0.0439 0.1425
Brugia malayi Major Facilitator Superfamily protein 0.0015 0.0042 0.0057
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0505 0.047
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0032 0.0424 0.1372
Plasmodium falciparum epoxide hydrolase 1 0.0049 0.0809 0.0779
Brugia malayi UPF0017 protein CG3488 0.0049 0.0809 0.2056
Mycobacterium ulcerans hypothetical protein 0.0049 0.0809 0.077
Mycobacterium ulcerans epoxide hydrolase EphF 0.0049 0.0809 0.077
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0033 0.0439 0.0617
Leishmania major hydrolase-like protein,esterase-like protein 0.0049 0.0809 0.8136
Brugia malayi Alpha/beta hydrolase 0.0049 0.0809 0.2056
Leishmania major glucose transporter, lmgt1 0.0033 0.0448 0.4312
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0505 0.4911
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0505 0.0523
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0123 0.0857
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0033 0.0439 0.1092
Trypanosoma cruzi hexose transporter, putative 0.0033 0.0448 0.4312
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0505 0.1282
Schistosoma mansoni glucose transport protein 0.0106 0.2102 0.5707
Plasmodium vivax glutathione reductase, putative 0.0055 0.0943 0.0915
Brugia malayi Thioredoxin reductase 0.0055 0.0943 0.2405
Leishmania major glucose transporter, lmgt2 0.0033 0.0448 0.4312
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0123 0.0082
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0032 0.0424 0.0987
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0123 0.0268
Mycobacterium ulcerans peroxidase BpoB 0.0049 0.0809 0.077
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0134 0.0974
Schistosoma mansoni hydrolase 0.0049 0.0809 0.2124
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0106 0.2102 0.7396
Leishmania major glucose transporter/membrane transporter D2, putative 0.0033 0.0448 0.4312
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0032 0.0424 0.1372
Loa Loa (eye worm) hypothetical protein 0.0035 0.0505 0.1309
Echinococcus granulosus abhydrolase domain containing protein 11 0.0049 0.0809 0.2753
Mycobacterium tuberculosis Probable carboxylesterase CaeA 0.0049 0.0809 0.0866
Brugia malayi major facilitator superfamily protein 0.0015 0.0042 0.0057
Plasmodium falciparum glutathione reductase 0.0055 0.0943 0.0915
Echinococcus multilocularis abhydrolase domain containing protein 3 0.0049 0.0809 0.2753
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0505 0.4911
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0134 0.033
Trichomonas vaginalis hydrolase, putative 0.0049 0.0809 0.2011
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0448 0.1066
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0024 0.024 0.2101
Schistosoma mansoni glucose transport protein 0.0106 0.2102 0.5707
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0125 0.2528 0.8826
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0184 0.3856 1
Trichomonas vaginalis sugar transporter, putative 0.0033 0.0448 0.1066
Echinococcus granulosus lysosomal acid lipase:cholesteryl ester 0.009 0.1724 0.6037
Trypanosoma cruzi hypothetical protein, conserved 0.0057 0.0984 1
Leishmania major lysyl-tRNA synthetase, putative 0.0024 0.024 0.2101
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0505 0.1214
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0049 0.0809 0.2011
Trypanosoma brucei glucose transporter, putative 0.0033 0.0448 0.4312
Loa Loa (eye worm) hypothetical protein 0.0049 0.0809 0.2097
Brugia malayi ab-hydrolase associated lipase region family protein 0.009 0.1724 0.4442
Mycobacterium tuberculosis Probable reductase 0.0125 0.2528 0.2808
Loa Loa (eye worm) hypothetical protein 0.0049 0.0809 0.2097
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0139 0.2843 1
Trypanosoma brucei trypanothione reductase 0.0055 0.0943 0.9555

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 107.86 uM Hydrogen peroxide radical scavenging activity in PC12 cell by survival assay ChEMBL. 17306423
EC50 (functional) = 114.82 uM Nitric oxide radical scavenging activity in PC12 cells by survival assay ChEMBL. 17306423
EC50 (functional) = 167.06 uM Hydroxyl radical scavenging activity in PC12 cell by survival assay ChEMBL. 17306423
Log EC50 (functional) = 3.78 Hydroxyl radical scavenging activity in PC12 cell by survival assay ChEMBL. 17306423
Log EC50 (functional) = 3.94 Nitric oxide radical scavenging activity in PC12 cells by survival assay ChEMBL. 17306423
Log EC50 (functional) = 3.97 Hydrogen peroxide radical scavenging activity in PC12 cell by survival assay ChEMBL. 17306423
log K (ADMET) = 1.245 Retention time, log K of the compound ChEMBL. 17306423
LogP = 1.684 Partition coefficient, log P of the compound ChEMBL. 17306423

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

1 literature reference was collected for this gene.

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