Detailed information for compound 1198217

Basic information

Technical information
  • TDR Targets ID: 1198217
  • Name: N,5-ditert-butyl-2-methyl-4-nitropyrazole-3-c arboxamide
  • MW: 282.339 | Formula: C13H22N4O3
  • H donors: 1 H acceptors: 4 LogP: 2.36 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1n(C)nc(c1[N+](=O)[O-])C(C)(C)C)NC(C)(C)C
  • InChi: 1S/C13H22N4O3/c1-12(2,3)10-8(17(19)20)9(16(7)15-10)11(18)14-13(4,5)6/h1-7H3,(H,14,18)
  • InChiKey: SUXQEAVAXNVPSH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,5-ditert-butyl-2-methyl-4-nitro-pyrazole-3-carboxamide
  • N,5-ditert-butyl-2-methyl-4-nitro-3-pyrazolecarboxamide
  • ZINC00504438
  • STOCK1S-95705
  • Oprea1_787528
  • 5-tert-Butyl-2-methyl-4-nitro-2H-pyrazole-3-carboxylic acid tert-butylamide
  • MLS000588922
  • SMR000212479

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
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0065 0.0236
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0146 0.0215
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0146 0.0146
Echinococcus granulosus tyrosine protein kinase Blk 0.0007 0.0017 0.0025
Brugia malayi SH2 domain containing protein 0.0007 0.0017 0.0061
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0006 0.0022
Loa Loa (eye worm) hypothetical protein 0.0107 0.1161 0.4195
Loa Loa (eye worm) hypothetical protein 0.0248 0.2768 1
Schistosoma mansoni hypothetical protein 0.0039 0.0386 0.0724
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0007 0.0017 0.0017
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0006 0.0012
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0065 0.0236
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0026 0.0095
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0008 0.0026 0.0546
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0234 0.0846
Brugia malayi hypothetical protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0236
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0065 0.0096
Echinococcus multilocularis tyrosine protein kinase Fps85D 0.0007 0.0017 0.0017
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0065 0.0123
Loa Loa (eye worm) hypothetical protein 0.0007 0.0017 0.0061
Schistosoma mansoni ap endonuclease 0.002 0.0173 0.0325
Brugia malayi Pre-SET motif family protein 0.0219 0.2429 0.8775
Onchocerca volvulus 0.0007 0.0017 0.0061
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Onchocerca volvulus 0.0007 0.0017 0.0061
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0017 0.0025
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0148 0.6071
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.0046 0.0464 0.1594
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0234 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0173 1
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Echinococcus multilocularis protein dispatched 1 0.0053 0.0538 0.0538
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0173 0.7073
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0148 0.6071
Brugia malayi SRC-1 0.0007 0.0017 0.0061
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0065 0.0236
Loa Loa (eye worm) hypothetical protein 0.0031 0.0297 0.1073
Onchocerca volvulus 0.0007 0.0014 0.0051
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Echinococcus granulosus T cell transcription factor 4 long C terminal 0.013 0.1421 0.2089
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0148 0.6071
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0146 0.0527
Schistosoma mansoni tyrosine kinase 0.0007 0.0017 0.0032
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Brugia malayi hypothetical protein 0.0006 0.0006 0.0022
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.016 0.6421
Entamoeba histolytica long-chain-fatty-acid--CoA ligase, putative 0.0008 0.0026 0.0227
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0026 0.0546
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0173 0.0255
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0591 0.2134
Schistosoma mansoni tyrosine kinase 0.0224 0.2496 0.4682
Echinococcus multilocularis Niemann Pick C1 protein 0.0107 0.1161 0.1161
Echinococcus multilocularis tyrosine protein kinase Btk29A 0.0007 0.0017 0.0017
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0386 0.0724
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Loa Loa (eye worm) hypothetical protein 0.0039 0.0385 0.139
Schistosoma mansoni hypothetical protein 0.0039 0.0385 0.0722
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0234 1
Echinococcus granulosus expressed conserved protein 0.0101 0.1087 0.1599
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0065 0.0236
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0234 1
Brugia malayi Protein kinase domain containing protein 0.0007 0.0017 0.0061
Echinococcus multilocularis T cell transcription factor 4 long C terminal 0.013 0.1421 0.1421
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0173 0.1492
Entamoeba histolytica hypothetical protein 0.0039 0.0386 0.3326
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0386 0.0386
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.0767 0.2771
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Entamoeba histolytica hypothetical protein 0.0039 0.0386 0.3326
Schistosoma mansoni coup transcription factor 0.0011 0.0065 0.0123
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0234 1
Onchocerca volvulus 0.0007 0.0017 0.0061
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0007 0.0017 0.0025
Loa Loa (eye worm) TK/ABL protein kinase 0.0007 0.0017 0.0061
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0065 0.0236
Onchocerca volvulus 0.0007 0.0017 0.0061
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0008 0.0026 0.0095
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0234 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0591 0.2134
Echinococcus multilocularis tyrosine protein kinase Srms 0.0007 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0019 0.016 0.0577
Entamoeba histolytica hypothetical protein 0.0039 0.0386 0.3326
Brugia malayi acetyl-Coenzyme A synthetase 2 0.0008 0.0026 0.0095
Loa Loa (eye worm) hypothetical protein 0.0006 0.0006 0.0022
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0236
Echinococcus multilocularis GPCR, family 2 0.0018 0.0146 0.0146
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0065 0.0065
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0065 0.0065
Brugia malayi protein C24B5.3 0.0007 0.0014 0.0051
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0065 0.0236
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Brugia malayi steroid hormone receptor 0.0011 0.0065 0.0236
Loa Loa (eye worm) hypothetical protein 0.0026 0.0234 0.0846
Onchocerca volvulus 0.0007 0.0017 0.0061
Plasmodium falciparum acetyl-CoA synthetase, putative 0.0008 0.0026 0.0772
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Brugia malayi protein-tyrosine kinase 0.0007 0.0017 0.0061
Schistosoma mansoni ap endonuclease 0.002 0.0173 0.0325
Loa Loa (eye worm) hypothetical protein 0.0006 0.0006 0.0022
Schistosoma mansoni hypothetical protein 0.0018 0.0146 0.0274
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0386 0.0568
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0008 0.0026 0.0095
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.0006 0.0022
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0026 0.0095
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0236
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0146 0.0527
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0065 0.0096
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0234 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0236
Entamoeba histolytica hypothetical protein 0.0039 0.0386 0.3326
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0146 0.0146
Echinococcus multilocularis beta catenin 0.0194 0.2155 0.2155
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0065 0.0123
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0008 0.0026 0.0026
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Echinococcus multilocularis protein pangolin J 0.013 0.1421 0.1421
Echinococcus multilocularis tyrosine protein kinase ABL1 0.0007 0.0017 0.0017
Schistosoma mansoni hypothetical protein 0.0044 0.0445 0.0835
Echinococcus granulosus pangolin 0.013 0.1421 0.2089
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0065 0.0123
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0026 0.0095
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0173 0.0535
Loa Loa (eye worm) hypothetical protein 0.0019 0.016 0.0577
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Schistosoma mansoni patched 1 0.0046 0.0464 0.087
Loa Loa (eye worm) hypothetical protein 0.0057 0.0591 0.2134
Loa Loa (eye worm) hypothetical protein 0.0019 0.016 0.0577
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0008 0.0026 0.0546
Loa Loa (eye worm) hypothetical protein 0.0056 0.0582 0.2103
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0017 0.0025
Onchocerca volvulus 0.0007 0.0014 0.0051
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.0767 0.2771
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0095
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0173 0.5628
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0109 0.118 0.2213
Brugia malayi hypothetical protein 0.0006 0.0006 0.0022
Brugia malayi hypothetical protein 0.0007 0.0014 0.0051
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.016 0.5
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0.0026 0.0434
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0065 0.0236
Loa Loa (eye worm) patched family protein 0.0007 0.0014 0.0051
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0007 0.0017 0.0017
Echinococcus multilocularis sterol regulatory element binding protein 0.0046 0.0464 0.0464
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0065 0.0123
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0236
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0008 0.0026 0.0546
Echinococcus granulosus tyrosine protein kinase Btk29A 0.0007 0.0017 0.0025
Echinococcus granulosus GPCR family 2 0.0018 0.0146 0.0215
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0065 0.0123
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0006 0.0022
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.016 0.6617
Plasmodium vivax SET domain protein, putative 0.0031 0.0297 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0173 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0006 0.0022
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0173 0.0626
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Echinococcus multilocularis tyrosine protein kinase Blk 0.0007 0.0017 0.0017
Echinococcus granulosus tyrosine protein kinase shark 0.023 0.2556 0.376
Brugia malayi Patched related family protein 12 0.0007 0.0014 0.0051
Loa Loa (eye worm) hypothetical protein 0.0006 0.0006 0.0022
Onchocerca volvulus 0.0249 0.2773 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0065 0.0236
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0007 0.0017 0.0025
Brugia malayi Tyrosine-protein kinase abl-1 0.0007 0.0017 0.0061
Echinococcus multilocularis survival motor neuron protein 1 0.0248 0.2768 0.2768
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0065 0.0236
Schistosoma mansoni tyrosine kinase 0.0007 0.0017 0.0032
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Brugia malayi Niemann-Pick C1 protein precursor 0.0107 0.1161 0.4195
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0006 0.0012
Brugia malayi hypothetical protein 0.0007 0.0014 0.0051
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.016 0.5149
Onchocerca volvulus 0.0008 0.0026 0.0095
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0517 0.1867
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0234 1
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0007 0.0017 0.0017
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0234 0.0846
Echinococcus granulosus beta catenin 0.0194 0.2155 0.317
Echinococcus granulosus tyrosine protein kinase Fps85D 0.0007 0.0017 0.0025
Plasmodium vivax acetyl-CoA synthetase, putative 0.0008 0.0026 0.0434
Loa Loa (eye worm) TK protein kinase 0.0007 0.0017 0.0061
Schistosoma mansoni hypothetical protein 0.0051 0.0517 0.0969
Brugia malayi nuclear hormone receptor 0.0011 0.0065 0.0236
Brugia malayi HMG box family protein 0.013 0.1421 0.5132
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0173 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0236
Loa Loa (eye worm) hypothetical protein 0.0046 0.0464 0.1677
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0065 0.0096
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0234 1
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0007 0.0017 0.0017
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0234 1
Echinococcus granulosus Niemann Pick C1 protein 0.0153 0.1686 0.2479
Echinococcus granulosus tyrosine protein kinase Srms 0.0007 0.0017 0.0025
Brugia malayi Protein kinase domain containing protein 0.0007 0.0017 0.0061
Brugia malayi Protein kinase domain containing protein 0.0007 0.0017 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0065 0.0236
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0146 0.0527
Onchocerca volvulus 0.0007 0.0014 0.0051
Schistosoma mansoni tyrosine kinase 0.0007 0.0017 0.0032
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0026 0.0095
Onchocerca volvulus Protein patched homolog 0.0007 0.0014 0.0051
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0006 0.0009
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Echinococcus granulosus tar DNA binding protein 0.0073 0.0767 0.1128
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0297 0.0437
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0065 0.0236
Schistosoma mansoni tyrosine kinase 0.0007 0.0017 0.0032
Onchocerca volvulus 0.0007 0.0017 0.0061
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0065 0.0065
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0065 0.0236
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0297 0.0557
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0026 0.0546
Echinococcus multilocularis expressed conserved protein 0.0101 0.1087 0.1087
Echinococcus granulosus tyrosine protein kinase Fyn 0.0007 0.0017 0.0025
Loa Loa (eye worm) hypothetical protein 0.0008 0.0026 0.0095
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0767 0.1438
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0065 0.0236
Onchocerca volvulus 0.0007 0.0014 0.0051
Entamoeba histolytica SH2-protein kinase domain containing protein 0.0007 0.0017 0.0145
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0008 0.0026 0.0546
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Trichomonas vaginalis set domain proteins, putative 0.0249 0.2773 1
Brugia malayi nuclear receptor NHR-88 0.0011 0.0065 0.0236
Echinococcus granulosus Niemann Pick C1 protein 0.0107 0.1161 0.1708
Brugia malayi Myosin head containing protein 0.0007 0.0014 0.0051
Schistosoma mansoni survival motor neuron protein 0.0051 0.0517 0.0969
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Onchocerca volvulus 0.0008 0.0026 0.0095
Schistosoma mansoni tyrosine kinase 0.0007 0.0017 0.0032
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0297 0.0297
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.016 0.9149
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0234 0.2016
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0297 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0173 0.0173
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0046 0.0464 0.1677
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0065 0.0236
Schistosoma mansoni tyrosine kinase 0.023 0.2556 0.4794
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0107 0.1161 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0767 0.1438
Echinococcus multilocularis tyrosine kinase 0.0007 0.0017 0.0017
Brugia malayi hypothetical protein 0.0007 0.0017 0.0061
Echinococcus granulosus tyrosine protein kinase Src64B 0.0007 0.0017 0.0025
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0007 0.0017 0.0032
Echinococcus granulosus tyrosine protein kinase ABL1 0.0007 0.0017 0.0025
Brugia malayi Pre-SET motif family protein 0.0031 0.0297 0.1073
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0065 0.0065
Echinococcus multilocularis protein patched 0.0046 0.0464 0.0464
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) SRC-1 0.0007 0.0017 0.0061
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0007 0.0017 0.0017
Onchocerca volvulus 0.0008 0.0026 0.0095
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0008 0.0026 0.0546
Schistosoma mansoni hypothetical protein 0.0044 0.0445 0.0835
Schistosoma mansoni hypothetical protein 0.0044 0.0445 0.0835
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0065 0.0236
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0767 0.1438
Schistosoma mansoni hypothetical protein 0.0473 0.5332 1
Brugia malayi hypothetical protein 0.0248 0.2768 1
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0297 0.0297
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0065 0.0236
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0065 0.0236
Loa Loa (eye worm) patched family protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0065 0.0236
Schistosoma mansoni hypothetical protein 0.0018 0.0146 0.0274
Brugia malayi Patched related family protein 10 0.0007 0.0014 0.0051
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0065 0.0236
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0219 0.2429 0.8775
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0234 1
Loa Loa (eye worm) HMP-2 protein 0.0194 0.2155 0.7785
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0234 1
Echinococcus granulosus c src tyrosine kinase 0.0007 0.0017 0.0025
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0026 0.0546
Onchocerca volvulus 0.0051 0.0517 0.1864
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0591 0.2134
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0065 0.0065
Brugia malayi Protein kinase domain containing protein 0.0007 0.0017 0.0061
Schistosoma mansoni beta-catenin 0.0194 0.2155 0.4041
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0173 1
Loa Loa (eye worm) TAR-binding protein 0.0073 0.0767 0.2771
Brugia malayi AMP-binding enzyme family protein 0.0008 0.0026 0.0095
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0234 1
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0173 0.0626
Mycobacterium ulcerans hypothetical protein 0.0026 0.0234 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0006 0.0022
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0234 0.2016
Brugia malayi protein C24B5.3 0.0007 0.0014 0.0051
Echinococcus multilocularis tyrosine protein kinase Abl 0.0007 0.0017 0.0017
Loa Loa (eye worm) hypothetical protein 0.0018 0.0146 0.0527
Brugia malayi CHE-14 protein 0.0046 0.0464 0.1677
Brugia malayi Patched family protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Brugia malayi Protein kinase domain containing protein 0.0007 0.0017 0.0061
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0065 0.0096
Schistosoma mansoni hypothetical protein 0.0018 0.0146 0.0274
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0065 0.0123
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0065 0.0123
Loa Loa (eye worm) hypothetical protein 0.0026 0.0234 0.0846
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0065 0.0236
Schistosoma mansoni hypothetical protein 0.0044 0.0445 0.0835
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0065 0.0096
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0767 0.1438
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0173 0.7073
Echinococcus granulosus sterol regulatory element binding protein 0.0046 0.0464 0.0683
Schistosoma mansoni hypothetical protein 0.0018 0.0146 0.0274
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Echinococcus multilocularis Niemann Pick C1 protein 0.0153 0.1686 0.1686
Echinococcus granulosus Protein patched homolog 1 0.0046 0.0464 0.0683
Brugia malayi ecdysteroid receptor 0.0011 0.0065 0.0236
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0065 0.0065
Toxoplasma gondii propionate-CoA ligase 0.0008 0.0026 0.0434
Brugia malayi nuclear receptor RXR 0.0006 0.0006 0.0022
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0008 0.0026 0.0039
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0065 0.0236
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0065 0.0123
Loa Loa (eye worm) hypothetical protein 0.0019 0.016 0.0577
Onchocerca volvulus 0.0007 0.0014 0.0051
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0297 0.0557
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0297 0.0557
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0297 0.0557
Brugia malayi Armadillo/beta-catenin-like repeat family protein 0.0194 0.2155 0.7785
Echinococcus multilocularis tyrosine protein kinase shark 0.023 0.2556 0.2556
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0065 0.0065
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0284 0.0418
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0236
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0148 0.6071
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0007 0.0017 0.0025
Brugia malayi hypothetical protein 0.0039 0.0386 0.1395
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0065 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0065 0.0236
Brugia malayi RNA binding protein 0.0073 0.0767 0.2771
Echinococcus multilocularis c src tyrosine kinase 0.0007 0.0017 0.0017
Brugia malayi hypothetical protein 0.0007 0.0014 0.0051
Brugia malayi Patched related family protein 4 0.0007 0.0014 0.0051
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0065 0.0236
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0234 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0065 0.0096
Loa Loa (eye worm) hypothetical protein 0.0011 0.0065 0.0236
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0007 0.0017 0.0017
Echinococcus multilocularis tar DNA binding protein 0.0073 0.0767 0.0767
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0234 0.2016
Onchocerca volvulus Cirhin homolog 0.0193 0.214 0.7718
Echinococcus granulosus tyrosine protein kinase Src42A 0.0007 0.0017 0.0025
Echinococcus granulosus tyrosine kinase 0.0007 0.0017 0.0025
Loa Loa (eye worm) TK/FER protein kinase 0.0007 0.0017 0.0061
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0173 0.7233
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0385 0.139
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0173 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0234 0.0846
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0065 0.0236
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0065 0.0236
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) RNA binding protein 0.0073 0.0767 0.2771
Loa Loa (eye worm) patched family protein 0.0007 0.0014 0.0051
Echinococcus granulosus hypothetical protein 0.0602 0.6799 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0146 0.0215
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0065 0.0123
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0065 0.0123
Brugia malayi TAR-binding protein 0.0073 0.0767 0.2771
Loa Loa (eye worm) patched family protein 0.0007 0.0014 0.0051
Loa Loa (eye worm) patched family protein 0.0007 0.0014 0.0051
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0234 0.0846
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0008 0.0026 0.0546
Loa Loa (eye worm) HMG box family protein 0.013 0.1421 0.5132
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0173 1
Schistosoma mansoni acetyl-CoA synthetase 0.0008 0.0026 0.0049
Onchocerca volvulus 0.0008 0.0026 0.0095
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0234 1
Onchocerca volvulus 0.0007 0.0014 0.0051
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0019 0.016 0.0577
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0065 0.0096
Echinococcus granulosus tyrosine protein kinase Lyn 0.0007 0.0017 0.0025
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0.0026 0.0434
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0065 0.0236
Echinococcus granulosus tyrosine kinase 0.0007 0.0017 0.0025
Toxoplasma gondii exonuclease III APE 0.002 0.0173 0.5628
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0065 0.0123
Loa Loa (eye worm) hypothetical protein 0.0007 0.0014 0.0051
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0173 0.5
Brugia malayi SH2 domain containing protein 0.0007 0.0017 0.0061
Onchocerca volvulus 0.0026 0.0234 0.0844
Onchocerca volvulus 0.0011 0.0065 0.0236
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0008 0.0026 0.0546
Onchocerca volvulus 0.0007 0.0014 0.0051
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0065 0.0096
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0065 0.0236
Loa Loa (eye worm) oxidoreductase 0.0008 0.0026 0.0095
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0008 0.0026 0.0546
Schistosoma mansoni tar DNA-binding protein 0.0073 0.0767 0.1438
Echinococcus granulosus survival motor neuron protein 1 0.0248 0.2768 0.4071
Onchocerca volvulus 0.0031 0.0297 0.1071
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0065 0.0123
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0007 0.0017 0.0017
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0173 0.0535
Schistosoma mansoni pangolin 0.013 0.1421 0.2664
Brugia malayi Patched protein homolog 1 0.0007 0.0014 0.0051
Onchocerca volvulus Protein patched homolog 0.0007 0.0014 0.0051

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] 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

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

No literature references available for this target.

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