Detailed information for compound 1339126

Basic information

Technical information
  • TDR Targets ID: 1339126
  • Name: 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl )sulfanyl]-N-(2-bromo-4-methylphenyl)acetamid e
  • MW: 419.299 | Formula: C16H15BrN6OS
  • H donors: 2 H acceptors: 4 LogP: 2.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1Br)C)CSc1nnc(n1N)c1ccccn1
  • InChi: 1S/C16H15BrN6OS/c1-10-5-6-12(11(17)8-10)20-14(24)9-25-16-22-21-15(23(16)18)13-4-2-3-7-19-13/h2-8H,9,18H2,1H3,(H,20,24)
  • InChiKey: VDNXCMIDCGNXOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[[4-amino-5-(2-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-bromo-4-methyl-phenyl)acetamide
  • 2-[[4-amino-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methylphenyl)acetamide
  • 2-[[4-amino-5-(2-pyridyl)-1,2,4-triazol-3-yl]thio]-N-(2-bromo-4-methyl-phenyl)acetamide
  • 2-[(4-amino-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-bromo-4-methyl-phenyl)ethanamide
  • SMR000437633
  • 2-(4-Amino-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2-bromo-4-methyl-phenyl)-acetamide
  • ST5084288
  • MLS000333503

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B 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
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
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
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
Echinococcus granulosus jumonji domain containing 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
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
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
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
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
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0051 0.1189
Loa Loa (eye worm) hypothetical protein 0.0026 0.0004 0.0021
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0046 0.0285
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0168 0.1107
Brugia malayi Bromodomain containing protein 0.0046 0.0041 0.0399
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0069 0.044
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.0032 0.0014 0.0966
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0012 0.0334
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.009 0.0937
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0109 0.0156 0.0132
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0032 0.0014 0.0095
Schistosoma mansoni hypothetical protein 0.0025 0.0002 0.0013
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0026 0.0004 0.0026
Trypanosoma brucei cysteinyl-tRNA synthetase, putative 0.008 0.0103 0.4227
Echinococcus granulosus dihydrofolate reductase 0.0044 0.0038 0.0228
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0153 0.0237 0.2495
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0026 0.0004 0.0026
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0039 0.0235
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0021 0.0202
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.0032 0.0014 0.0438
Leishmania major trypanothione reductase 0.0048 0.0044 0.1696
Onchocerca volvulus 0.0535 0.0936 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0088 0.0571
Mycobacterium tuberculosis Hypothetical protein 0.0052 0.0051 0.0028
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.001 0.0039
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0051 0.0049 0.0308
Schistosoma mansoni bromodomain containing protein 0.0076 0.0096 0.065
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0069 0.2792
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0039 0.0261
Loa Loa (eye worm) hypothetical protein 0.006 0.0067 0.0695
Brugia malayi Pre-SET motif family protein 0.003 0.0012 0.0083
Trichomonas vaginalis set domain proteins, putative 0.024 0.0396 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0026 0.0004 0.0026
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0026 0.0004 0.0026
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0021 0.0727
Plasmodium falciparum cysteine--tRNA ligase 0.008 0.0103 0.4245
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0069 0.0045
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.008 0.0103 0.4227
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0088 0.0571
Brugia malayi cysteinyl tRNA synthetase protein 1 0.008 0.0103 0.1061
Chlamydia trachomatis UDP-N-acetylglucosamine--N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol N-acetylglucosamine transferase 0.0173 0.0274 0.5679
Toxoplasma gondii thioredoxin reductase 0.0048 0.0044 0.1722
Giardia lamblia Cysteinyl-tRNA synthetase 0.008 0.0103 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0153 0.0237 1
Loa Loa (eye worm) runx1 0.0067 0.0079 0.0827
Brugia malayi jmjC domain containing protein 0.0045 0.0039 0.0372
Brugia malayi jmjC domain containing protein 0.0115 0.0168 0.1756
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.0156 0.0133
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0044 0.1696
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0211 0.0342 0.3642
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0026 0.0004 0.0026
Loa Loa (eye worm) hypothetical protein 0.0046 0.0041 0.042
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0044 0.0271
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.0156 0.0133
Treponema pallidum sodium- and chloride- dependent transporter 0.0153 0.0237 0.3552
Onchocerca volvulus 0.024 0.0396 0.4201
Onchocerca volvulus 0.0153 0.0237 0.2495
Schistosoma mansoni cysteinyl-tRNA synthetase 0.008 0.0103 0.0693
Plasmodium falciparum flap endonuclease 1 0.0026 0.0005 0.0031
Loa Loa (eye worm) hypothetical protein 0.0026 0.0004 0.0021
Brugia malayi glutathione reductase 0.0048 0.0044 0.043
Loa Loa (eye worm) hypothetical protein 0.0035 0.0021 0.0202
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0026 0.0004 0.0026
Loa Loa (eye worm) hypothetical protein 0.0026 0.0004 0.0021
Echinococcus multilocularis peregrin 0.0038 0.0026 0.015
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.0179 0.0155
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0044 0.045
Loa Loa (eye worm) hypothetical protein 0.008 0.0103 0.1079
Loa Loa (eye worm) hypothetical protein 0.0153 0.0237 0.2511
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0026 0.0004 0.0026
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0006 0.0042
Mycobacterium tuberculosis Probable reductase 0.0109 0.0156 0.0133
Loa Loa (eye worm) flap endonuclease-1 0.0026 0.0005 0.0028
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0021 0.0114
Brugia malayi Dihydrofolate reductase 0.0044 0.0038 0.0361
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0032 0.0014 0.0408
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0109 0.0156 0.1049
Brugia malayi Flap endonuclease-1 0.0026 0.0005 0.0008
Loa Loa (eye worm) hypothetical protein 0.0052 0.0051 0.0521
Loa Loa (eye worm) hypothetical protein 0.0026 0.0004 0.0021
Brugia malayi thymidylate synthase 0.0109 0.0156 0.1627
Brugia malayi Pre-SET motif family protein 0.0211 0.0342 0.3629
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0026 0.0004 0.0026
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0109 0.0156 0.0132
Loa Loa (eye worm) hypothetical protein 0.0049 0.0046 0.0476
Loa Loa (eye worm) glutathione reductase 0.0048 0.0044 0.045
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0153 0.0237 1
Onchocerca volvulus 0.003 0.0012 0.0083
Mycobacterium ulcerans thymidylate synthase 0.0109 0.0156 0.0142
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0032 0.0014 0.0966
Loa Loa (eye worm) hypothetical protein 0.0032 0.0014 0.013
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0153 0.0237 0.1595
Brugia malayi Bromodomain containing protein 0.0038 0.0026 0.0238
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0044 0.0038 0.0014
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.0156 0.0133
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0286 0.0479 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0044 0.002
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0026 0.0004 0.0026
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0751 0.1333 1
Onchocerca volvulus 0.0032 0.0014 0.0109
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0069 0.0055
Trichomonas vaginalis cysteinyl-tRNA synthetase, putative 0.008 0.0103 0.2511
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0026 0.0005 0.0031
Trypanosoma brucei trypanothione reductase 0.0048 0.0044 0.1696
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0032 0.0014 0.0408
Chlamydia trachomatis cysteine--tRNA ligase 0.008 0.0103 0.2079
Loa Loa (eye worm) hypothetical protein 0.0535 0.0936 1
Schistosoma mansoni cysteinyl-tRNA synthetase 0.008 0.0103 0.0693
Echinococcus multilocularis thymidylate synthase 0.0109 0.0156 0.1025
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0153 0.0237 1
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0032 0.0014 0.0438
Mycobacterium ulcerans undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0173 0.0274 0.026
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0153 0.0237 1
Brugia malayi Thioredoxin reductase 0.0048 0.0044 0.043
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.0032 0.0014 0.0069
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0049 0.0333
Brugia malayi PHD-finger family protein 0.0035 0.0021 0.0182
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0046 0.0285
Loa Loa (eye worm) dihydrofolate reductase 0.0044 0.0038 0.0381
Loa Loa (eye worm) hypothetical protein 0.0153 0.0237 0.2511
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0751 0.1333 0.1312
Echinococcus granulosus peregrin 0.0038 0.0026 0.015
Plasmodium vivax flap endonuclease 1, putative 0.0026 0.0005 0.0031
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0021 0.0114
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0069 0.0465
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0006 0.0016
Treponema pallidum undecaprenyldiphospho-muramoylpentapeptide beta-N-acetylglucosaminyltransferase 0.0173 0.0274 0.4545
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0052 0.0051 0.2002
Loa Loa (eye worm) hypothetical protein 0.0535 0.0936 1
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.0032 0.0014 0.0243
Loa Loa (eye worm) thymidylate synthase 0.0109 0.0156 0.1644
Echinococcus granulosus thymidylate synthase 0.0109 0.0156 0.1025
Plasmodium vivax glutathione reductase, putative 0.0048 0.0044 0.1722
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0044 0.0038 0.0024
Plasmodium falciparum thioredoxin reductase 0.0048 0.0044 0.1722
Loa Loa (eye worm) solute carrier family 6 member 4 0.0153 0.0237 0.2511
Echinococcus multilocularis Protein lozenge 0.0067 0.0079 0.0509
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0051 0.0049 0.0333
Echinococcus granulosus leucyl tRNA synthetase 0.008 0.0103 0.0669
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0026 0.0004 0.0021
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0032 0.0014 0.0408
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0036 0.0216
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0036 0.0216
Trypanosoma cruzi cysteinyl-tRNA synthetase, putative 0.008 0.0103 0.4227
Leishmania major cysteinyl-tRNA synthetase, putative 0.008 0.0103 0.4227
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0012 0.0079
Loa Loa (eye worm) norepinephrine transporter 0.0153 0.0237 0.2511
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.0179 0.0155
Loa Loa (eye worm) hypothetical protein 0.0051 0.0049 0.0508
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0153 0.0237 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0034 0.0206
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.0179 0.0155
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0006 0.0016
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.0032 0.0014 0.0069
Onchocerca volvulus 0.0109 0.0156 0.1627
Loa Loa (eye worm) serotonin transporter b 0.0153 0.0237 0.2511
Loa Loa (eye worm) hypothetical protein 0.0085 0.0113 0.1186
Loa Loa (eye worm) cysteinyl tRNA synthetase 1 0.008 0.0103 0.1079
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.5482 1 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0012 0.0053
Toxoplasma gondii cysteine-tRNA synthetase (CysRS) 0.008 0.0103 0.4245
Echinococcus granulosus histone lysine methyltransferase setb 0.0051 0.0049 0.0308
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0168 0.1107
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0012 0.0079
Schistosoma mansoni dihydrofolate reductase 0.0044 0.0038 0.0254
Plasmodium falciparum glutathione reductase 0.0048 0.0044 0.1722
Schistosoma mansoni lozenge 0.0067 0.0079 0.0535
Brugia malayi PHD-finger family protein 0.003 0.0011 0.0081
Loa Loa (eye worm) hypothetical protein 0.0026 0.0004 0.0021
Echinococcus granulosus flap endonuclease 1 0.0026 0.0005 0.0005
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 0.0751 0.1333 0.132
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.0179 0.0155
Loa Loa (eye worm) hypothetical protein 0.0026 0.0004 0.0021
Schistosoma mansoni hypothetical protein 0.0035 0.0021 0.0141
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0069 0.0055
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0044 0.1722
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0032 0.0014 0.0095
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.0286 0.0479 1
Brugia malayi hypothetical protein 0.0052 0.0051 0.0506
Plasmodium falciparum cysteine--tRNA ligase 0.008 0.0103 0.4245
Chlamydia trachomatis dihydrofolate reductase 0.0044 0.0038 0.0708
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0124 0.0837
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0069 0.0465
Schistosoma mansoni sodium-dependent amino acid transporter 0.0026 0.0004 0.0026
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.0156 0.0133
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0039 0.0261
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0021 0.0727
Echinococcus granulosus microtubule associated protein 2 0.0833 0.1483 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.1483 1
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.0156 0.0133
Mycobacterium leprae Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 0.0751 0.1333 0.1312
Echinococcus multilocularis serotonin transporter 0.0153 0.0237 0.1573
Mycobacterium tuberculosis Probable UPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide) pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0127 0.0189 0.0166
Echinococcus granulosus cysteinyl tRNA synthetase 0.008 0.0103 0.0669
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0044 0.0271
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.0032 0.0014 0.0408
Mycobacterium ulcerans cysteinyl-tRNA synthetase 0.008 0.0103 0.0089
Entamoeba histolytica cysteinyl-tRNA synthetase, putative 0.008 0.0103 1
Echinococcus multilocularis cysteinyl tRNA synthetase 0.008 0.0103 0.0669
Brugia malayi Bromodomain containing protein 0.0091 0.0122 0.1269
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0026 0.0004 0.0021
Mycobacterium tuberculosis Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC 0.5482 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0069 0.0055
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0044 0.0038 0.0014
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0021 0.0727
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.0032 0.0014 0.0438
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0069 0.2769
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.0032 0.0014 0.0109
Giardia lamblia PHD finger protein 15 0.0035 0.0021 0.1651
Brugia malayi dihydrofolate reductase family protein 0.0044 0.0038 0.0361
Echinococcus multilocularis dihydrofolate reductase 0.0044 0.0038 0.0228
Echinococcus multilocularis flap endonuclease 1 0.0026 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0153 0.0237 0.2511
Plasmodium falciparum phd finger protein, putative 0.0035 0.0021 0.0727
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0039 0.0392
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.1483 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0004 0.0021
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine:LPS N-acetylglucosamine transferase 0.0173 0.0274 0.1392
Onchocerca volvulus 0.008 0.0103 0.1061
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.0156 0.0133
Schistosoma mansoni sodium/chloride dependent transporter 0.0153 0.0237 0.1595
Brugia malayi hypothetical protein 0.0535 0.0936 1
Plasmodium vivax SET domain protein, putative 0.003 0.0012 0.0334
Plasmodium vivax cysteine--tRNA ligase, putative 0.008 0.0103 0.4245
Onchocerca volvulus Alhambra homolog 0.0035 0.0021 0.0182
Schistosoma mansoni sodium/chloride dependent transporter 0.0026 0.0004 0.0026
Mycobacterium ulcerans glycosyltransferase 0.0037 0.0024 0.001
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0021 0.0141
Echinococcus granulosus serotonin transporter 0.0153 0.0237 0.1573
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0153 0.0237 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0069 0.044
Mycobacterium leprae ProbableUPD-N-acetylglucosamine-N-acetylmuramyl-(pentapeptide)pyrophosphoryl-undecaprenol-N-acetylglucosamine transferase MurG 0.0127 0.0189 0.0166

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 2.2387 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 11.6891 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 BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 17.7828 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 (binding) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] 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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