Detailed information for compound 100619

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.242 | Formula: C15H19BrN4O
  • H donors: 2 H acceptors: 2 LogP: 3.53 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1cc(nn1C)C(C)(C)C)Nc1cccc(c1)Br
  • InChi: 1S/C15H19BrN4O/c1-15(2,3)12-9-13(20(4)19-12)18-14(21)17-11-7-5-6-10(16)8-11/h5-9H,1-4H3,(H2,17,18,21)
  • InChiKey: SIAMKUUWUNIFFT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

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
Mycobacterium tuberculosis Conserved protein 0.0109 0.0522 0.1143
Mycobacterium ulcerans glutaminase 0.1366 0.8464 1
Loa Loa (eye worm) RNA binding protein 0.0919 0.564 0.6659
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0319 0.185 0.1833
Loa Loa (eye worm) TAR-binding protein 0.0919 0.564 0.6659
Trypanosoma cruzi hypothetical protein, conserved 0.0109 0.0522 0.3017
Onchocerca volvulus 0.0109 0.0522 0.0877
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.0044 0.0023
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0088 0.0387 0.0441
Trichomonas vaginalis inositol monophosphatase, putative 0.0076 0.0314 0.0355
Mycobacterium ulcerans hypothetical protein 0.0047 0.013 0.0089
Trichomonas vaginalis sucrase-isomaltase, putative 0.0077 0.0319 0.0361
Schistosoma mansoni pyruvate kinase 0.029 0.1663 0.1945
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0119 0.0585 0.3519
Echinococcus granulosus pyruvate kinase 0.0149 0.0773 0.0881
Echinococcus granulosus lysosomal alpha glucosidase 0.0346 0.2021 0.2345
Brugia malayi RNA recognition motif domain containing protein 0.0919 0.564 0.6659
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0319 0.0361
Mycobacterium ulcerans esterase/lipase LipP 0.0109 0.0522 0.0555
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0319 0.0361
Entamoeba histolytica pyruvate kinase, putative 0.0202 0.111 0.7392
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0295 0.1696 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0055 0.0048
Mycobacterium ulcerans pyruvate kinase 0.029 0.1663 0.1913
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.0585 0.0668
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0315 0.1787
Loa Loa (eye worm) latrophilin receptor protein 2 0.008 0.0338 0.0384
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.083 0.5077 0.5992
Mycobacterium tuberculosis Probable hydrolase 0.0109 0.0522 0.1143
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0035 0.0055 0.0029
Echinococcus granulosus GPCR family 2 0.008 0.0338 0.0372
Loa Loa (eye worm) hypothetical protein 0.0202 0.1109 0.1296
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0047 0.013 0.0089
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0315 0.1891
Brugia malayi Pre-SET motif family protein 0.0119 0.0585 0.0676
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0095 0.0483
Brugia malayi hypothetical protein 0.009 0.04 0.0457
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.1696 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.0317 0.0297
Plasmodium falciparum pyruvate kinase 0.029 0.1663 1
Plasmodium falciparum acyl-CoA synthetase 0.0035 0.0055 0.033
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0047 0.013 0.0089
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0317 0.1908
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0319 0.0361
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0317 0.1908
Brugia malayi beta-lactamase 0.0109 0.0522 0.0601
Mycobacterium tuberculosis Probable lipase LipE 0.0109 0.0522 0.1143
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0109 0.0522 0.0601
Loa Loa (eye worm) hypothetical protein 0.0035 0.0055 0.0048
Echinococcus multilocularis microtubule associated protein 2 0.0703 0.4275 0.4263
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0115 0.0558 0.0629
Trypanosoma cruzi hypothetical protein, conserved 0.0109 0.0522 0.3017
Echinococcus multilocularis lysosomal alpha glucosidase 0.0346 0.2021 0.2004
Schistosoma mansoni hypothetical protein 0.0084 0.0363 0.0405
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0151 0.013
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.0317 0.1908
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0151 0.0905
Schistosoma mansoni hypothetical protein 0.0176 0.0944 0.1093
Echinococcus granulosus snurportin 1 0.0317 0.1839 0.2131
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.008 0.0338 0.0318
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0187 0.1012 0.1162
Schistosoma mansoni smad1 5 8 and 0.0033 0.0044 0.0028
Entamoeba histolytica acyl-coA synthetase, putative 0.0047 0.013 0.0781
Trypanosoma cruzi PAB1-binding protein , putative 0.0076 0.0315 0.1787
Loa Loa (eye worm) hypothetical protein 0.0173 0.0924 0.1078
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0346 0.2021 0.2375
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.008 0.0338 0.0318
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.013 0.0688
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0034 0.0049 0.0033
Loa Loa (eye worm) pyruvate kinase 0.029 0.1663 0.1952
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0068 0.0263 0.0527
Schistosoma mansoni transcription factor LCR-F1 0.0263 0.1496 0.1747
Loa Loa (eye worm) hypothetical protein 0.0047 0.013 0.0137
Brugia malayi Inositol-1 0.0076 0.0314 0.0355
Brugia malayi Calcitonin receptor-like protein seb-1 0.0253 0.143 0.1675
Brugia malayi Latrophilin receptor protein 2 0.008 0.0338 0.0384
Loa Loa (eye worm) hypothetical protein 0.0047 0.013 0.0137
Loa Loa (eye worm) hypothetical protein 0.0035 0.0055 0.0048
Plasmodium falciparum ataxin-2 like protein, putative 0.0076 0.0315 0.1891
Loa Loa (eye worm) hypothetical protein 0.0035 0.0055 0.0048
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.008 0.0338 0.0372
Echinococcus granulosus Smad4 0.0033 0.0044 0.0027
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0151 0.0258
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0187 0.1012 0.1174
Onchocerca volvulus 0.0119 0.0585 0.0987
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0109 0.0522 0.0593
Plasmodium vivax pyruvate kinase 2, putative 0.0149 0.0773 0.4645
Echinococcus granulosus pyruvate kinase 0.0149 0.0773 0.0881
Echinococcus multilocularis GPCR, family 2 0.008 0.0338 0.0318
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.0044 0.0027
Brugia malayi Pyruvate kinase, muscle isozyme 0.029 0.1663 0.1952
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0094 0.0426 0.0488
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.013 0.0781
Echinococcus granulosus smad 0.0033 0.0044 0.0027
Brugia malayi Pre-SET motif family protein 0.083 0.5077 0.5992
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0095 0.0483
Schistosoma mansoni hypothetical protein 0.008 0.0338 0.0376
Plasmodium vivax SET domain protein, putative 0.0119 0.0585 0.3519
Trypanosoma brucei glucosidase, putative 0.0077 0.0319 0.1811
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.0317 0.1908
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.013 0.0089
Loa Loa (eye worm) hypothetical protein 0.0084 0.0363 0.0413
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0314 0.0355
Echinococcus granulosus histone acetyltransferase KAT2B 0.0094 0.0426 0.0475
Loa Loa (eye worm) pyruvate kinase-PB 0.0202 0.111 0.1297
Schistosoma mansoni tar DNA-binding protein 0.0919 0.564 0.6656
Trypanosoma brucei PAB1-binding protein , putative 0.0076 0.0315 0.1787
Schistosoma mansoni hypothetical protein 0.0176 0.0944 0.1093
Mycobacterium tuberculosis Probable esterase LipL 0.0109 0.0522 0.1143
Echinococcus multilocularis tar DNA binding protein 0.0919 0.564 0.5631
Plasmodium falciparum pyruvate kinase 2 0.0149 0.0773 0.4645
Loa Loa (eye worm) pyruvate kinase 0.029 0.1663 0.1952
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.013 0.078
Echinococcus multilocularis lysosomal alpha glucosidase 0.0346 0.2021 0.2004
Loa Loa (eye worm) inositol-1 0.0076 0.0314 0.0355
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0314 0.1781
Schistosoma mansoni smad1 5 8 and 0.0033 0.0044 0.0028
Loa Loa (eye worm) Smad1 0.0033 0.0044 0.0036
Plasmodium vivax mitochondrial import inner membrane translocase subunit TIM23, putative 0.0084 0.0363 0.2184
Plasmodium vivax pyruvate kinase, putative 0.029 0.1663 1
Echinococcus granulosus tumor protein p63 0.1379 0.8549 1
Schistosoma mansoni hypothetical protein 0.0263 0.1496 0.1747
Mycobacterium tuberculosis Conserved protein 0.0109 0.0522 0.1143
Plasmodium vivax hypothetical protein, conserved 0.0109 0.0522 0.3135
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0109 0.0522 0.1143
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0715 0.4167
Schistosoma mansoni hypothetical protein 0.0317 0.1839 0.2153
Trypanosoma cruzi pyruvate kinase 2, putative 0.029 0.1663 0.9803
Brugia malayi MH1 domain containing protein 0.0033 0.0044 0.0036
Brugia malayi RNA binding protein 0.0919 0.564 0.6659
Brugia malayi Smad1 0.0033 0.0044 0.0036
Schistosoma mansoni hypothetical protein 0.008 0.0338 0.0376
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0095 0.0483
Onchocerca volvulus Pyruvate kinase homolog 0.029 0.1663 0.285
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0076 0.0314 0.1885
Loa Loa (eye worm) hypothetical protein 0.009 0.04 0.0457
Loa Loa (eye worm) hypothetical protein 0.0202 0.111 0.1297
Brugia malayi MH2 domain containing protein 0.0033 0.0044 0.0036
Brugia malayi latrophilin 2 splice variant baaae 0.0173 0.0924 0.1078
Toxoplasma gondii hypothetical protein 0.0048 0.0134 0.0804
Echinococcus multilocularis pyruvate kinase 0.0229 0.1278 0.1259
Plasmodium falciparum histone acetyltransferase GCN5 0.0086 0.0377 0.2266
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0145 0.075 0.0871
Loa Loa (eye worm) hypothetical protein 0.0077 0.0317 0.0359
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0187 0.1012 0.1182
Onchocerca volvulus Pyruvate kinase homolog 0.029 0.1663 0.285
Plasmodium vivax acyl-CoA synthetase, putative 0.0035 0.0055 0.033
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.0317 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0076 0.0314 0.0308
Mycobacterium leprae Probable pyruvate kinase PykA 0.029 0.1663 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.0815 0.1843
Toxoplasma gondii pyruvate kinase PyK1 0.029 0.1663 1
Mycobacterium ulcerans lipase LipD 0.0109 0.0522 0.0555
Leishmania major mitochondrial DNA polymerase beta 0.0295 0.1696 1
Echinococcus multilocularis pyruvate kinase 0.029 0.1663 0.1646
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0084 0.0363 0.0413
Brugia malayi acetyltransferase, GNAT family protein 0.0319 0.185 0.2173
Schistosoma mansoni hypothetical protein 0.0034 0.0049 0.0033
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.0044 0.0028
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0253 0.143 0.1675
Leishmania major pyruvate kinase 0.029 0.1663 0.9803
Echinococcus multilocularis mitochondrial import inner membrane translocase subunit TIM23, putative 0.0084 0.0363 0.0343
Schistosoma mansoni Smad4 0.0033 0.0044 0.0028
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0317 0.1632
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.0317 0.1908
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.0319 0.2056
Onchocerca volvulus 0.0944 0.5802 1
Loa Loa (eye worm) acetyltransferase 0.0319 0.185 0.2173
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0119 0.0585 0.0668
Echinococcus granulosus histone lysine methyltransferase setb 0.0119 0.0585 0.0662
Brugia malayi AMP-binding enzyme family protein 0.0047 0.013 0.0137
Entamoeba histolytica hypothetical protein 0.0263 0.1496 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.013 0.0089
Trichomonas vaginalis glutaminase, putative 0.1366 0.8464 1
Brugia malayi pyruvate kinase 0.0061 0.0219 0.0242
Trypanosoma brucei hypothetical protein, conserved 0.0109 0.0522 0.3017
Echinococcus multilocularis inositol monophosphatase 1 0.0076 0.0314 0.0293
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.0314 0.0355
Mycobacterium ulcerans beta-lactamase 0.0109 0.0522 0.0555
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0715 0.4167
Brugia malayi beta-lactamase family protein 0.0109 0.0522 0.0601
Schistosoma mansoni inositol monophosphatase 0.0076 0.0314 0.0347
Brugia malayi RNA, U transporter 1 0.0085 0.0367 0.0418
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0187 0.1012 0.1174
Loa Loa (eye worm) hypothetical protein 0.008 0.0338 0.0384
Loa Loa (eye worm) MH2 domain-containing protein 0.0491 0.2934 0.3456
Mycobacterium ulcerans hypothetical protein 0.0155 0.0815 0.0904
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0696 0.4231 1
Echinococcus multilocularis neutral alpha glucosidase AB 0.0077 0.0319 0.0298
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0047 0.013 0.078
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.029 0.1663 0.387
Entamoeba histolytica acyl-CoA synthetase, putative 0.0047 0.013 0.0781
Onchocerca volvulus Pyruvate kinase homolog 0.029 0.1663 0.285
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0077 0.0319 0.2056
Echinococcus granulosus pyruvate kinase 0.029 0.1663 0.1926
Giardia lamblia Pyruvate kinase 0.029 0.1663 1
Schistosoma mansoni alpha glucosidase 0.0077 0.0319 0.0353
Echinococcus multilocularis pyruvate kinase 0.0149 0.0773 0.0753
Echinococcus granulosus pyruvate kinase 0.0149 0.0773 0.0881
Echinococcus multilocularis geminin 0.0176 0.0944 0.0925
Mycobacterium ulcerans acyl-CoA synthetase 0.0047 0.013 0.0089
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0314 0.1781
Echinococcus granulosus survival motor neuron protein 1 0.0711 0.4329 0.5051
Echinococcus multilocularis beta LACTamase domain containing family member 0.0109 0.0522 0.0502
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.0522 0.0601
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.0522 0.0601
Loa Loa (eye worm) hypothetical protein 0.0109 0.0522 0.0601
Brugia malayi hypothetical protein 0.0076 0.0312 0.0353
Entamoeba histolytica hypothetical protein 0.0263 0.1496 1
Onchocerca volvulus 0.0047 0.013 0.02
Loa Loa (eye worm) glutaminase 0.1366 0.8464 1
Echinococcus multilocularis pyruvate kinase 0.0149 0.0773 0.0753
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0109 0.0522 0.1143
Loa Loa (eye worm) hypothetical protein 0.0109 0.0522 0.0601
Trypanosoma cruzi pyruvate kinase 2, putative 0.029 0.1663 0.9803
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.0044 0.0036
Brugia malayi beta-lactamase family protein 0.0109 0.0522 0.0601
Plasmodium falciparum mitochondrial import inner membrane translocase subunit TIM23, putative 0.0084 0.0363 0.2184
Trichomonas vaginalis esterase, putative 0.0109 0.0522 0.0601
Schistosoma mansoni tar DNA-binding protein 0.0919 0.564 0.6656
Echinococcus multilocularis survival motor neuron protein 1 0.0711 0.4329 0.4317
Schistosoma mansoni tar DNA-binding protein 0.0919 0.564 0.6656
Mycobacterium ulcerans hypothetical protein 0.0109 0.0522 0.0555
Loa Loa (eye worm) pyruvate kinase 0.029 0.1663 0.1952
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0109 0.0522 0.1143
Mycobacterium leprae conserved hypothetical protein 0.0109 0.0522 0.3135
Loa Loa (eye worm) pyruvate kinase 0.0061 0.0219 0.0242
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0051 0.0152 0.0823
Brugia malayi TAR-binding protein 0.0919 0.564 0.6659
Schistosoma mansoni alpha-glucosidase 0.0298 0.1716 0.2008
Toxoplasma gondii ABC1 family protein 0.0109 0.0522 0.3135
Schistosoma mansoni glutaminase 0.1366 0.8464 1
Loa Loa (eye worm) hypothetical protein 0.029 0.1663 0.1952
Toxoplasma gondii mitochondrial inner membrane translocase subunit TIM17, putative 0.0084 0.0363 0.2184
Schistosoma mansoni hypothetical protein 0.0145 0.075 0.0864
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0109 0.0522 0.0593
Brugia malayi hypothetical protein 0.0049 0.0144 0.0154
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0253 0.143 0.1675
Brugia malayi hypothetical protein 0.0263 0.1496 0.1754
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0187 0.1012 0.1162
Loa Loa (eye worm) hypothetical protein 0.0076 0.0315 0.0356
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.0585 0.0668
Loa Loa (eye worm) beta-lactamase 0.0109 0.0522 0.0601
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0077 0.0319 0.1916
Echinococcus multilocularis pyruvate kinase 0.0149 0.0773 0.0753
Schistosoma mansoni microtubule-associated protein tau 0.0703 0.4275 0.5039
Echinococcus granulosus geminin 0.0176 0.0944 0.1082
Onchocerca volvulus 0.02 0.1099 0.1874
Schistosoma mansoni tar DNA-binding protein 0.0919 0.564 0.6656
Mycobacterium tuberculosis Conserved protein 0.0109 0.0522 0.1143
Plasmodium vivax importin-beta 2, putative 0.003 0.0021 0.0126
Brugia malayi hypothetical protein 0.0076 0.0315 0.0356
Schistosoma mansoni hypothetical protein 0.008 0.0338 0.0376
Schistosoma mansoni eyes absent homolog 0.009 0.04 0.0449
Schistosoma mansoni inositol monophosphatase 0.0076 0.0314 0.0347
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0047 0.013 0.0089
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0314 0.1781
Schistosoma mansoni pyruvate kinase 0.0149 0.0773 0.089
Schistosoma mansoni cellular tumor antigen P53 0.0202 0.1109 0.1289
Brugia malayi pyruvate kinase, muscle isozyme 0.0061 0.0219 0.0242
Mycobacterium leprae Probable lipase LipE 0.0109 0.0522 0.3135
Plasmodium vivax ataxin-2 like protein, putative 0.0076 0.0315 0.1891
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0077 0.0319 0.0361
Onchocerca volvulus 0.0145 0.075 0.1272
Brugia malayi MH1 domain containing protein 0.0033 0.0044 0.0036
Brugia malayi AMP-binding enzyme family protein 0.0047 0.013 0.0137
Schistosoma mansoni hypothetical protein 0.008 0.0338 0.0376
Trichomonas vaginalis penicillin-binding protein, putative 0.0109 0.0522 0.0601
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0317 0.0312
Echinococcus multilocularis tumor protein p63 0.1379 0.8549 0.8546
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0187 0.1012 0.1182
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0151 0.0152
Leishmania major alpha glucosidase II subunit, putative 0.0077 0.0319 0.1811
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0919 0.564 0.6659
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0084 0.0363 0.0413
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.0319 0.0361
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0068 0.0263 0.1583
Mycobacterium tuberculosis Probable lipase LipD 0.0109 0.0522 0.1143
Plasmodium falciparum importin beta, putative 0.003 0.0021 0.0126
Brugia malayi hypothetical protein 0.0711 0.4329 0.5106
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0319 0.0361
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0109 0.0522 0.0555
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0187 0.1012 0.1174
Brugia malayi MH2 domain containing protein 0.0491 0.2934 0.3456
Loa Loa (eye worm) hypothetical protein 0.0109 0.0522 0.0601
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0319 0.1811
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0187 0.1012 0.0993
Loa Loa (eye worm) hypothetical protein 0.0109 0.0522 0.0601
Leishmania major hypothetical protein, conserved 0.0076 0.0315 0.1787
Giardia lamblia Pyruvate kinase 0.0149 0.0773 0.3075
Brugia malayi Importin beta-1 subunit 0.003 0.0021 0.0008
Brugia malayi Pyruvate kinase, M2 isozyme 0.029 0.1663 0.1952
Brugia malayi hypothetical protein 0.0076 0.0312 0.0353
Brugia malayi MH2 domain containing protein 0.0033 0.0044 0.0036
Schistosoma mansoni pyruvate kinase 0.029 0.1663 0.1945
Trichomonas vaginalis D-aminoacylase, putative 0.0109 0.0522 0.0601
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0047 0.013 0.0208
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.0317 0.0348
Loa Loa (eye worm) hypothetical protein 0.0711 0.4329 0.5106
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0095 0.0483
Loa Loa (eye worm) hypothetical protein 0.0035 0.0055 0.0048
Entamoeba histolytica acetyltransferase, GNAT family 0.0086 0.0377 0.2449
Schistosoma mansoni alpha-glucosidase 0.0298 0.1716 0.2008
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0094 0.0426 0.2564
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.013 0.0688
Brugia malayi Probable ClpP-like protease 0.0077 0.0317 0.0359
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0187 0.1012 0.0993
Echinococcus multilocularis snurportin 1 0.0317 0.1839 0.1821
Leishmania major 4-coumarate:coa ligase-like protein 0.0047 0.013 0.0688
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.0317 0.1632
Trichomonas vaginalis pyruvate kinase, putative 0.029 0.1663 0.1952
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0119 0.0585 0.0566
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0094 0.0426 0.2564
Echinococcus granulosus pyruvate kinase 0.029 0.1663 0.1926
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0021 0.0042
Leishmania major pyruvate kinase 0.029 0.1663 0.9803
Trichomonas vaginalis set domain proteins, putative 0.0944 0.5802 0.685
Onchocerca volvulus 0.0109 0.0522 0.0877
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0295 0.1696 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0077 0.0319 0.0361
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0021 0.0126
Schistosoma mansoni tar DNA-binding protein 0.0919 0.564 0.6656
Brugia malayi glutaminase DH11.1 0.1366 0.8464 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0094 0.0426 0.0488
Loa Loa (eye worm) hypothetical protein 0.0047 0.013 0.0137
Echinococcus granulosus beta LACTamase domain containing family member 0.0109 0.0522 0.0587
Echinococcus granulosus inositol monophosphatase 1 0.0076 0.0314 0.0343
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0317 0.1839 0.216
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0119 0.0585 0.0668
Schistosoma mansoni smad 0.0033 0.0044 0.0028
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.008 0.0338 0.0372
Loa Loa (eye worm) hypothetical protein 0.0119 0.0585 0.0676
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.0044 0.0023
Toxoplasma gondii pyruvate kinase PyKII 0.0149 0.0773 0.4645
Loa Loa (eye worm) hypothetical protein 0.0253 0.143 0.1675
Echinococcus granulosus tar DNA binding protein 0.0919 0.564 0.6589
Loa Loa (eye worm) hypothetical protein 0.0109 0.0522 0.0601
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0021 0.0042
Leishmania major hypothetical protein, conserved 0.0109 0.0522 0.3017
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0094 0.0426 0.2564
Entamoeba histolytica hypothetical protein 0.0263 0.1496 1
Trichomonas vaginalis maltase-glucoamylase, putative 0.0077 0.0319 0.0361
Trichomonas vaginalis penicillin-binding protein, putative 0.0109 0.0522 0.0601
Chlamydia trachomatis pyruvate kinase 0.029 0.1663 1
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.0044 0.0027
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.0715 0.4167
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.0317 0.0312
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0077 0.0319 0.0361
Echinococcus multilocularis Smad4 0.0033 0.0044 0.0023
Loa Loa (eye worm) hypothetical protein 0.0109 0.0522 0.0601
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0109 0.0522 0.0601
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0047 0.013 0.0208
Trypanosoma brucei pyruvate kinase 1 0.029 0.1663 0.9803
Echinococcus multilocularis smad 0.0033 0.0044 0.0023
Brugia malayi Glycosyl hydrolases family 31 protein 0.0346 0.2021 0.2375
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0319 0.1811
Schistosoma mansoni survival motor neuron protein 0.0145 0.075 0.0864
Loa Loa (eye worm) transcription factor SMAD2 0.0491 0.2934 0.3456
Brugia malayi Mitochondrial import inner membrane translocase subunit Tim17 family protein 0.0084 0.0363 0.0413
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.0314 0.1781
Entamoeba histolytica hypothetical protein 0.0263 0.1496 1
Brugia malayi AMP-binding enzyme family protein 0.0047 0.013 0.0137
Echinococcus multilocularis pyruvate kinase 0.029 0.1663 0.1646
Onchocerca volvulus 0.0202 0.1109 0.1892
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0119 0.0585 0.0566
Onchocerca volvulus 0.0109 0.0522 0.0877
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.0317 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.0317 0.0351
Trichomonas vaginalis pyruvate kinase, putative 0.029 0.1663 0.1952
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0319 0.185 0.2167
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.0044 0.0036
Trypanosoma brucei pyruvate kinase 1, putative 0.029 0.1663 0.9803
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0263 0.1496 0.173
Brugia malayi Glycosyl hydrolases family 31 protein 0.0077 0.0319 0.0361
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.008 0.0338 0.0384
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0263 0.1496 0.1478
Toxoplasma gondii LsmAD domain-containing protein 0.0076 0.0315 0.1891
Schistosoma mansoni smad1 5 8 and 0.0033 0.0044 0.0028
Loa Loa (eye worm) hypothetical protein 0.009 0.04 0.0457
Loa Loa (eye worm) glutaminase 2 0.1366 0.8464 1
Schistosoma mansoni hypothetical protein 0.0173 0.0924 0.107
Loa Loa (eye worm) hypothetical protein 0.003 0.0021 0.0008
Echinococcus granulosus microtubule associated protein 2 0.0703 0.4275 0.4988
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0034 0.0049 0.0028
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0047 0.013 0.0089
Echinococcus granulosus histone acetyltransferase KAT2B 0.031 0.1794 0.2079
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0151 0.0258
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0076 0.0314 0.2022
Echinococcus granulosus neutral alpha glucosidase AB 0.0077 0.0319 0.0349

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 33 % Inhibition of Mitogen-activated protein kinase p38 alpha 2 ChEMBL. 10999468
Inhibition (binding) = 33 % Inhibition of Mitogen-activated protein kinase p38 alpha 2 ChEMBL. 10999468

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.
 
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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.