Detailed information for compound 1239821

Basic information

Technical information
  • TDR Targets ID: 1239821
  • Name: 2-(4-bromophenyl)sulfanyl-4,6-dimethyl-5-nitr opyridine-3-carbonitrile
  • MW: 364.217 | Formula: C14H10BrN3O2S
  • H donors: 0 H acceptors: 4 LogP: 4.26 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(Sc2ccc(cc2)Br)nc(c(c1C)[N+](=O)[O-])C
  • InChi: 1S/C14H10BrN3O2S/c1-8-12(7-16)14(17-9(2)13(8)18(19)20)21-11-5-3-10(15)4-6-11/h3-6H,1-2H3
  • InChiKey: ZVKRQQLIVGVTJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(4-bromophenyl)sulfanyl-4,6-dimethyl-5-nitro-pyridine-3-carbonitrile
  • 2-[(4-bromophenyl)thio]-4,6-dimethyl-5-nitro-3-pyridinecarbonitrile
  • 2-[(4-bromophenyl)thio]-4,6-dimethyl-5-nitro-nicotinonitrile
  • ZINC01042480
  • 2-[(4-bromophenyl)thio]-4,6-dimethyl-5-nitronicotinonitrile
  • MLS000861200
  • SMR000459984
  • Maybridge1_006140

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0635 0.0635
Echinococcus granulosus peregrin 0.0033 0.0142 0.0142
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0304 0.4148 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0635 0.0907
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0414 0.0414
Echinococcus granulosus jumonji domain containing protein 0.0046 0.0332 0.0332
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0428
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0053 0.0443 0.041
Onchocerca volvulus 0.0067 0.0654 0.0689
Brugia malayi Carboxylesterase family protein 0.0293 0.3989 0.5427
Brugia malayi Thioredoxin reductase 0.0093 0.1037 0.1263
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0428
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0067 0.0654 0.0654
Plasmodium falciparum thioredoxin reductase 0.0093 0.1037 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0423 0.3149
Brugia malayi jmjC domain containing protein 0.004 0.0244 0.0144
Schistosoma mansoni lipoxygenase 0.0182 0.235 0.235
Onchocerca volvulus 0.0049 0.0388 0.0331
Schistosoma mansoni inositol monophosphatase 0.012 0.1433 0.1433
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0142 0.0142
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Loa Loa (eye worm) carboxylesterase 0.0049 0.0388 0.0428
Brugia malayi Latrophilin receptor protein 2 0.0064 0.061 0.0661
Brugia malayi Pre-SET motif family protein 0.047 0.6614 0.9131
Trypanosoma cruzi trypanothione reductase, putative 0.0093 0.1037 0.3391
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0835 0.2491
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0293 0.3989 0.3989
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0428
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0443 0.0733
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0053 0.0443 0.0425
Leishmania major cathepsin L-like protease 0.0073 0.0731 0.2023
Leishmania major hypothetical protein, conserved 0.0052 0.0423 0.0646
Echinococcus granulosus para nitrobenzyl esterase 0.0049 0.0388 0.0388
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0635 0.0907
Trypanosoma brucei trypanothione reductase 0.0093 0.1037 0.3391
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0339 0.0339
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0428
Brugia malayi follicle stimulating hormone receptor 0.0512 0.7231 1
Echinococcus granulosus RUN 0.0044 0.03 0.03
Trypanosoma cruzi trypanothione reductase, putative 0.0053 0.0443 0.0733
Loa Loa (eye worm) hypothetical protein 0.0052 0.0423 0.0478
Loa Loa (eye worm) cytochrome P450 family protein 0.0085 0.091 0.1159
Echinococcus multilocularis geminin 0.0699 1 1
Schistosoma mansoni hypothetical protein 0.0064 0.061 0.061
Schistosoma mansoni polycystin 1-related 0.0044 0.03 0.03
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0053 0.0443 0.041
Echinococcus multilocularis lysine specific demethylase 5A 0.004 0.0244 0.0244
Echinococcus multilocularis GPCR, family 2 0.0064 0.061 0.061
Trichomonas vaginalis inositol monophosphatase, putative 0.012 0.1433 0.1346
Loa Loa (eye worm) jmjC domain-containing protein 0.0068 0.0659 0.0808
Giardia lamblia Fructose-bisphosphate aldolase 0.0621 0.8852 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0304 0.4148 1
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0053 0.0443 0.0733
Echinococcus granulosus short transient receptor potential channel 6 0.0068 0.0669 0.0669
Echinococcus granulosus neuropeptide s receptor 0.0454 0.6372 0.6372
Loa Loa (eye worm) latrophilin receptor protein 2 0.0064 0.061 0.0739
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Loa Loa (eye worm) inositol-1 0.012 0.1433 0.189
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0053 0.0443 0.0733
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0621 0.8852 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0064 0.061 0.061
Loa Loa (eye worm) hypothetical protein 0.0235 0.3139 0.4276
Schistosoma mansoni rab6-interacting 0.0044 0.03 0.03
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0621 0.8852 1
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0339 0.0339
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0064 0.061 0.0661
Echinococcus multilocularis neuroligin 0.0049 0.0388 0.0388
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0107 0.1247 0.2491
Plasmodium vivax glutathione reductase, putative 0.0093 0.1037 1
Schistosoma mansoni transient receptor potential channel 4 0.0103 0.1187 0.1187
Echinococcus multilocularis Polycystic kidney disease protein 0.0044 0.03 0.03
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0414 0.0414
Loa Loa (eye worm) cytochrome P450 family protein 0.0071 0.071 0.0879
Echinococcus granulosus short transient receptor potential channel 6 0.0068 0.0669 0.0669
Echinococcus granulosus lipoxygenase domain containing protein 0.0044 0.03 0.03
Entamoeba histolytica myo-inositol monophosphatase, putative 0.012 0.1433 0.1346
Schistosoma mansoni hypothetical protein 0.0043 0.0299 0.0299
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0049 0.0388 0.0388
Echinococcus multilocularis carboxylesterase 5A 0.0293 0.3989 0.3989
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0835 0.2491
Brugia malayi Carboxylesterase family protein 0.0293 0.3989 0.5427
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0053 0.0443 0.3366
Plasmodium vivax thioredoxin reductase, putative 0.0093 0.1037 1
Plasmodium falciparum thioredoxin reductase 0.0053 0.0443 0.3366
Brugia malayi Carboxylesterase family protein 0.0049 0.0388 0.0347
Loa Loa (eye worm) hypothetical protein 0.0293 0.3989 0.5466
Entamoeba histolytica hypothetical protein 0.0043 0.0299 0.0023
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0835 0.2491
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Schistosoma mansoni gliotactin 0.0049 0.0388 0.0388
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0835 0.0979
Brugia malayi Inositol-1 0.012 0.1433 0.1822
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.012 0.1433 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0049 0.0388 0.0388
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0193 0.2513 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0635 0.1592
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0067 0.0654 0.3967
Onchocerca volvulus 0.0049 0.0388 0.0331
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0635 0.0635
Loa Loa (eye worm) hypothetical protein 0.0065 0.0618 0.075
Schistosoma mansoni hypothetical protein 0.0042 0.0284 0.0284
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0654 0.0654
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.154 0.204
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0635 0.0635
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0067 0.0654 0.0654
Schistosoma mansoni hypothetical protein 0.0699 1 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0044 0.03 0.03
Schistosoma mansoni transient receptor potential channel 0.0103 0.1187 0.1187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0414 0.0414
Loa Loa (eye worm) hypothetical protein 0.0103 0.1187 0.1547
Brugia malayi latrophilin 2 splice variant baaae 0.0139 0.1717 0.2223
Echinococcus granulosus arachidonate 5 lipoxygenase 0.026 0.3509 0.3509
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0244 0.0244
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.012 0.1433 0.5165
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0414 0.0384
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0621 0.8852 1
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0053 0.0443 0.3366
Brugia malayi jmjC domain containing protein 0.0108 0.1247 0.156
Schistosoma mansoni survival motor neuron protein 0.0048 0.0366 0.0366
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0039 0.0234 0.013
Toxoplasma gondii NADPH-glutathione reductase 0.0053 0.0443 0.2333
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0049 0.0388 0.0388
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.3139 0.3139
Brugia malayi Doublecortin family protein 0.0044 0.03 0.0223
Echinococcus multilocularis lipoxygenase domain containing protein 0.0044 0.03 0.03
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0279 0.0279
Echinococcus granulosus acetylcholinesterase 0.0293 0.3989 0.3989
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0835 0.0835
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0142 0.0084
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0414 0.0414
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0731 0.2023
Loa Loa (eye worm) hypothetical protein 0.0038 0.0225 0.0201
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.012 0.1433 0.2973
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0635 0.0907
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0193 0.2513 0.5769
Brugia malayi hypothetical protein 0.0044 0.03 0.0223
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0654 0.0654
Brugia malayi Pre-SET motif family protein 0.0067 0.0654 0.0723
Loa Loa (eye worm) hypothetical protein 0.0033 0.0142 0.0084
Echinococcus multilocularis para nitrobenzyl esterase 0.0049 0.0388 0.0388
Plasmodium vivax ataxin-2 like protein, putative 0.0052 0.0423 0.3149
Echinococcus multilocularis transient receptor potential gamma protein 0.0103 0.1187 0.1187
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0049 0.0388 0.0127
Giardia lamblia NADH oxidase lateral transfer candidate 0.0053 0.0443 0.0346
Echinococcus multilocularis acetylcholinesterase 0.0293 0.3989 0.3989
Leishmania major cathepsin L-like protease 0.0073 0.0731 0.2023
Echinococcus granulosus acetylcholinesterase 0.0293 0.3989 0.3989
Brugia malayi hypothetical protein 0.0052 0.0423 0.0398
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0244 0.0244
Trypanosoma brucei PAB1-binding protein , putative 0.0052 0.0423 0.0646
Schistosoma mansoni hypothetical protein 0.0064 0.061 0.061
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0071 0.071 0.1102
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.012 0.1433 0.5165
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0093 0.1037 0.1947
Schistosoma mansoni hypothetical protein 0.0044 0.03 0.03
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0621 0.8852 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.047 0.6614 0.9138
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0142 0.0142
Loa Loa (eye worm) carboxylesterase 0.0049 0.0388 0.0428
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0204 0.2672 0.3623
Loa Loa (eye worm) CYP4Cod1 0.0071 0.071 0.0879
Loa Loa (eye worm) hypothetical protein 0.0245 0.3278 0.4472
Mycobacterium tuberculosis Carboxylesterase LipT 0.0049 0.0388 0.0268
Schistosoma mansoni transient receptor potential channel 0.0068 0.0669 0.0669
Loa Loa (eye worm) doublecortin family protein 0.0044 0.03 0.0305
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0053 0.0443 0.041
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0635 0.0907
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0621 0.8852 1
Echinococcus granulosus transient receptor potential ion channel A 0.01 0.1136 0.1136
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Loa Loa (eye worm) cytochrome P450 family protein 0.0071 0.071 0.0879
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0244 0.0244
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0053 0.0443 0.3366
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0244 0.0227
Brugia malayi Carboxylesterase family protein 0.0049 0.0388 0.0347
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0107 0.1247 0.2491
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0053 0.0443 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0067 0.0654 0.0654
Brugia malayi cytochrome P450 0.0042 0.0284 0.0201
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0304 0.4148 1
Brugia malayi hypothetical protein 0.0049 0.0388 0.0347
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0299 0.0299
Loa Loa (eye worm) hypothetical protein 0.0067 0.0654 0.08
Onchocerca volvulus Huntingtin homolog 0.0245 0.3278 0.4219
Brugia malayi Cytochrome P450 family protein 0.0085 0.091 0.1084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0414 0.0414
Entamoeba histolytica hypothetical protein 0.0043 0.0299 0.0023
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0053 0.0443 0.0443
Mycobacterium tuberculosis Probable oxidoreductase 0.0053 0.0443 0.041
Brugia malayi hypothetical protein 0.0235 0.3139 0.4228
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0279 0.0279
Trypanosoma brucei cytochrome P450, putative 0.0071 0.071 0.193
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.012 0.1433 1
Toxoplasma gondii LsmAD domain-containing protein 0.0052 0.0423 0.2183
Loa Loa (eye worm) hypothetical protein 0.0044 0.03 0.0305
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0635 0.0635
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0621 0.8852 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.012 0.1433 0.1346
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0193 0.2513 1
Brugia malayi hypothetical protein 0.0033 0.0151 0.0014
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0443 0.0733
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0053 0.0443 0.041
Plasmodium falciparum glutathione reductase 0.0093 0.1037 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0428
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0299 0.0299
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0108 0.1247 0.1247
Echinococcus multilocularis jumonji domain containing protein 0.0046 0.0332 0.0332
Schistosoma mansoni inositol monophosphatase 0.012 0.1433 0.1433
Trichomonas vaginalis spcc417.12 protein, putative 0.0049 0.0388 0.0127
Brugia malayi Cytochrome P450 family protein 0.0042 0.0284 0.0201
Loa Loa (eye worm) hypothetical protein 0.0044 0.03 0.0305
Echinococcus granulosus GPCR family 2 0.0064 0.061 0.061
Trypanosoma cruzi cytochrome P450, putative 0.0071 0.071 0.193
Schistosoma mansoni jumonji domain containing protein 0.0085 0.092 0.092
Echinococcus multilocularis RUN 0.0044 0.03 0.03
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0053 0.0443 0.0443
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0038 0.0225 0.0225
Loa Loa (eye worm) cytochrome P450 0.0042 0.0284 0.0284
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0053 0.0443 0.041
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0193 0.2513 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0443 0.0733
Brugia malayi Transient-receptor-potential like protein 0.0038 0.0225 0.0118
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Plasmodium vivax multidomain scavenger receptor, putative 0.0044 0.03 0.1769
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0053 0.0443 0.0733
Loa Loa (eye worm) hypothetical protein 0.0293 0.3989 0.5466
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0635 0.3819
Schistosoma mansoni transient receptor potential channel 0.0068 0.0669 0.0669
Onchocerca volvulus 0.0044 0.03 0.0213
Brugia malayi Carboxylesterase family protein 0.0049 0.0388 0.0347
Schistosoma mansoni loxhd1 0.0044 0.03 0.03
Loa Loa (eye worm) thioredoxin reductase 0.0093 0.1037 0.1336
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0142 0.0142
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0053 0.0443 0.0733
Onchocerca volvulus Huntingtin homolog 0.0245 0.3278 0.4219
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0835 0.2491
Leishmania major cytochrome p450-like protein 0.0042 0.0284 0.0024
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0042 0.0279 0.0279
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0053 0.0443 0.0733
Loa Loa (eye worm) acetylcholinesterase 1 0.0293 0.3989 0.5466
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0835 0.0835
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0366 0.0317
Echinococcus multilocularis lipoxygenase domain containing protein 0.0044 0.03 0.03
Echinococcus granulosus thioredoxin glutathione reductase 0.0093 0.1037 0.1037
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0053 0.0443 0.2333
Leishmania major cytochrome p450-like protein 0.0042 0.0284 0.0024
Schistosoma mansoni hypothetical protein 0.0064 0.061 0.061
Echinococcus multilocularis neuropeptide s receptor 0.0454 0.6372 0.6372
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.012 0.1433 0.5165
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0042 0.0279 0.0158
Plasmodium falciparum ataxin-2 like protein, putative 0.0052 0.0423 0.3149
Loa Loa (eye worm) hypothetical protein 0.0204 0.2672 0.3623
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0053 0.0443 0.041
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0042 0.0279 0.0194
Trypanosoma cruzi cytochrome P450, putative 0.0071 0.071 0.193
Echinococcus granulosus BC026374 protein S09 family 0.0049 0.0388 0.0388
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0067 0.0654 0.0654
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0414 0.0414
Brugia malayi Carboxylesterase family protein 0.0049 0.0388 0.0347
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0423 0.0646
Entamoeba histolytica hypothetical protein 0.0043 0.0299 0.0023
Echinococcus multilocularis acetylcholinesterase 0.0293 0.3989 0.3989
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0042 0.0284 0.0024
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0064 0.061 0.061
Schistosoma mansoni hypothetical protein 0.0064 0.061 0.061
Echinococcus granulosus cytochrome P450 2K1 0.0042 0.0284 0.0284
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0428
Trichomonas vaginalis mercuric reductase, putative 0.0053 0.0443 0.0191
Schistosoma mansoni hypothetical protein 0.0033 0.0142 0.0142
Echinococcus multilocularis short transient receptor potential channel 6 0.0068 0.0669 0.0669
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0621 0.8852 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.026 0.3509 0.3509
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0064 0.061 0.061
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0621 0.8852 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0512 0.7231 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0053 0.0443 0.041
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.0731 0.2023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0193 0.2513 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0414 0.0414
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0049 0.0388 0.0388
Schistosoma mansoni neuroligin 3 (S09 family) 0.0049 0.0388 0.0388
Plasmodium vivax SET domain protein, putative 0.0067 0.0654 0.5723
Onchocerca volvulus 0.0535 0.7576 1
Loa Loa (eye worm) carboxylesterase 0.0293 0.3989 0.5466
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0053 0.0443 0.0733
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0049 0.0388 0.0268
Echinococcus multilocularis short transient receptor potential channel 6 0.0068 0.0669 0.0669
Brugia malayi MH2 domain containing protein 0.0127 0.154 0.1972
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0204 0.2672 0.3569
Schistosoma mansoni cytochrome P450 0.0042 0.0284 0.0284
Loa Loa (eye worm) glutathione reductase 0.0093 0.1037 0.1336
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0053 0.0443 0.3366
Echinococcus multilocularis peregrin 0.0033 0.0142 0.0142
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0053 0.0443 0.0733
Echinococcus granulosus inositol monophosphatase 1 0.012 0.1433 0.1433
Echinococcus multilocularis transient receptor potential ion channel A 0.01 0.1136 0.1136
Echinococcus multilocularis ubiquitin specific protease 41 0.0042 0.0279 0.0279
Echinococcus multilocularis 0.0042 0.0284 0.0284
Schistosoma mansoni lipoxygenase 0.026 0.3509 0.3509
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0443 0.0733
Schistosoma mansoni hypothetical protein 0.0139 0.1717 0.1717
Loa Loa (eye worm) hypothetical protein 0.0245 0.3278 0.4472
Treponema pallidum fructose-bisphosphate aldolase 0.0621 0.8852 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0049 0.0388 0.0388
Echinococcus multilocularis BC026374 protein (S09 family) 0.0049 0.0388 0.0388
Trypanosoma cruzi major cysteine proteinase, putative 0.0057 0.0501 0.0993
Plasmodium falciparum LCCL domain-containing protein 0.0044 0.03 0.1769
Entamoeba histolytica hypothetical protein 0.0043 0.0299 0.0023
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0621 0.8852 1
Echinococcus granulosus transient receptor potential gamma protein 0.0103 0.1187 0.1187
Echinococcus granulosus Polycystic kidney disease protein 0.0044 0.03 0.03
Brugia malayi Cytochrome P450 family protein 0.0071 0.071 0.0802
Leishmania major cytochrome p450-like protein 0.0071 0.071 0.193
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0064 0.061 0.061
Schistosoma mansoni acetylcholinesterase 0.0049 0.0388 0.0388
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0731 0.2023
Onchocerca volvulus 0.0048 0.0366 0.0302
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0066 0.0638 0.1606
Loa Loa (eye worm) hypothetical protein 0.0049 0.0388 0.0428
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0731 0.2023
Toxoplasma gondii thioredoxin reductase 0.0093 0.1037 0.6932
Trichomonas vaginalis glutathione reductase, putative 0.0053 0.0443 0.0191
Brugia malayi hypothetical protein 0.0044 0.03 0.0223
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0835 0.0835
Echinococcus multilocularis thioredoxin glutathione reductase 0.0093 0.1037 0.1037
Echinococcus granulosus TRP transient receptor potential channel 0.0038 0.0225 0.0225
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0053 0.0443 0.0443
Schistosoma mansoni BC026374 protein (S09 family) 0.0049 0.0388 0.0388
Echinococcus granulosus ubiquitin specific protease 41 0.0042 0.0279 0.0279
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.012 0.1433 0.5165
Leishmania major trypanothione reductase 0.0093 0.1037 0.3391
Trypanosoma cruzi PAB1-binding protein , putative 0.0052 0.0423 0.0646
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0835 0.1055
Onchocerca volvulus 0.0049 0.0388 0.0331
Echinococcus multilocularis inositol monophosphatase 1 0.012 0.1433 0.1433
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.3139 0.3139
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0067 0.0654 0.0654
Brugia malayi Calcitonin receptor-like protein seb-1 0.0204 0.2672 0.3569
Toxoplasma gondii cytochrome p450 superfamily protein 0.0042 0.0284 0.1105
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0042 0.0279 0.0279
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0053 0.0443 0.0733
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0108 0.1247 0.1247
Plasmodium falciparum glutathione reductase 0.0053 0.0443 0.3366
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.0193 0.2513 0.5769
Schistosoma mansoni hypothetical protein 0.0699 1 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0039 0.0234 0.013
Loa Loa (eye worm) hypothetical protein 0.0139 0.1717 0.2288
Brugia malayi hypothetical protein 0.0245 0.3278 0.4425
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0731 0.2023
Loa Loa (eye worm) hypothetical protein 0.0056 0.0489 0.057
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0065 0.0617 0.0617
Onchocerca volvulus 0.0049 0.0388 0.0331
Trichomonas vaginalis myo inositol monophosphatase, putative 0.012 0.1433 0.1346
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0042 0.0279 0.0279
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0443 0.0733
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0042 0.0279 0.0279
Trichomonas vaginalis set domain proteins, putative 0.0535 0.7576 0.8512
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0053 0.0443 0.0733
Loa Loa (eye worm) hypothetical protein 0.0042 0.0279 0.0276
Echinococcus granulosus neuropeptide receptor A26 0.0454 0.6372 0.6372
Loa Loa (eye worm) hypothetical protein 0.0035 0.0174 0.013
Brugia malayi hypothetical protein 0.0043 0.0299 0.0222
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0053 0.0443 0.0733
Schistosoma mansoni hypothetical protein 0.0048 0.0366 0.0366
Schistosoma mansoni rab6-interacting 0.0044 0.03 0.03
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0053 0.0443 0.0733
Brugia malayi Cytochrome P450 family protein 0.0071 0.071 0.0802
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0414 0.0465
Mycobacterium ulcerans carboxylesterase, LipT 0.0049 0.0388 0.0268
Leishmania major cathepsin L-like protease 0.0073 0.0731 0.2023
Loa Loa (eye worm) hypothetical protein 0.0064 0.061 0.0739
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0621 0.8852 1
Onchocerca volvulus 0.0049 0.0388 0.0331
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0835 0.0649
Echinococcus multilocularis neuropeptide receptor A26 0.0454 0.6372 0.6372
Brugia malayi glutathione reductase 0.0093 0.1037 0.1263
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0049 0.0388 0.0268
Echinococcus granulosus neuroligin 0.0049 0.0388 0.0388
Echinococcus granulosus carboxylesterase 5A 0.0293 0.3989 0.3989
Onchocerca volvulus 0.0044 0.03 0.0213
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.154 0.204

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 124.6 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] ChEMBL. No reference
Potency (functional) 9.285 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) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 12.5893 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 (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (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) 29.0929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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