Detailed information for compound 1247439

Basic information

Technical information
  • TDR Targets ID: 1247439
  • Name: 4-(2,3-dimethylphenyl)-N-[4-methyl-2-(4-methy lpiperazin-1-yl)quinolin-6-yl]piperazine-1-ca rbothioamide
  • MW: 488.691 | Formula: C28H36N6S
  • H donors: 1 H acceptors: 1 LogP: 4.93 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN1CCN(CC1)c1cc(C)c2c(n1)ccc(c2)NC(=S)N1CCN(CC1)c1cccc(c1C)C
  • InChi: 1S/C28H36N6S/c1-20-6-5-7-26(22(20)3)32-14-16-34(17-15-32)28(35)29-23-8-9-25-24(19-23)21(2)18-27(30-25)33-12-10-31(4)11-13-33/h5-9,18-19H,10-17H2,1-4H3,(H,29,35)
  • InChiKey: WXEINBUODAZFBY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(2,3-dimethylphenyl)-N-[4-methyl-2-(4-methylpiperazin-1-yl)-6-quinolyl]piperazine-1-carbothioamide
  • 4-(2,3-dimethylphenyl)-N-[4-methyl-2-(4-methyl-1-piperazinyl)-6-quinolyl]-1-piperazinecarbothioamide
  • MLS000730527
  • SMR000308803

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 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
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi Niemann-Pick C1 protein precursor Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma mansoni niemann-pick C1 (NPC1) Get druggable targets OG5_128206 All targets in OG5_128206
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0036 0.0275 0.0574
Schistosoma mansoni zinc finger protein 0.0018 0.0059 0.0059
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.07 0.07
Mycobacterium ulcerans lipase LipD 0.0036 0.0275 0.2659
Mycobacterium tuberculosis Conserved protein 0.0036 0.0275 0.0646
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0032 0.022 0.022
Trichomonas vaginalis esterase, putative 0.0036 0.0275 0.0454
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0275 0.0646
Schistosoma mansoni hypothetical protein 0.0068 0.0669 0.0669
Mycobacterium ulcerans hypothetical protein 0.0036 0.0275 0.2659
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.022 0.022
Onchocerca volvulus 0.0036 0.0275 0.0631
Brugia malayi PHD-finger family protein 0.0032 0.0225 0.0437
Loa Loa (eye worm) hypothetical protein 0.0046 0.0399 0.0913
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0111 0.2394
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.1906 0.1906
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.07 0.07
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0275 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0205 1
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0065 0.0065
Schistosoma mansoni jumonji/arid domain-containing protein 0.0075 0.0752 0.0752
Schistosoma mansoni hypothetical protein 0.0494 0.5859 0.5859
Mycobacterium ulcerans beta-lactamase 0.0036 0.0275 0.2659
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0094 0.0094
Loa Loa (eye worm) beta-lactamase 0.0036 0.0275 0.0574
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0728 1
Schistosoma mansoni serine/threonine protein kinase 0.0319 0.3725 0.3725
Loa Loa (eye worm) hypothetical protein 0.0049 0.0434 0.1008
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0111 0.5
Leishmania major hypothetical protein, conserved 0.0036 0.0275 0.3226
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0065 0.0065
Echinococcus multilocularis cpg binding protein 0.0039 0.0309 0.0309
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0065 0.0065
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0728 0.0728
Schistosoma mansoni bromodomain containing protein 0.0078 0.079 0.079
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0023 0.0117 0.0117
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0094 0.0094
Schistosoma mansoni hypothetical protein 0.0049 0.0433 0.0433
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0231 0.2652 1
Trichomonas vaginalis AGC family protein kinase 0.0319 0.3725 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0275 0.0574
Schistosoma mansoni hypothetical protein 0.0018 0.0059 0.0059
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.0737 0.0737
Echinococcus granulosus Protein patched homolog 1 0.0051 0.0456 0.0456
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0085 0.0085
Schistosoma mansoni patched 1 0.0051 0.0456 0.0456
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0275 1
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.1284 0.1284
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.1284 0.3332
Schistosoma mansoni jumonji/arid domain-containing protein 0.0075 0.0752 0.0752
Onchocerca volvulus 0.0036 0.0275 0.0631
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0275 0.0646
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0275 0.2659
Mycobacterium tuberculosis Conserved protein 0.0036 0.0275 0.0646
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0728 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0257 0.0525
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0065 0.0065
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0728 0.2429
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0275 0.0574
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0065 0.0065
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0032 0.022 0.0425
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0275 0.0646
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.1906 0.1906
Entamoeba histolytica protein kinase, putative 0.0319 0.3725 1
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0275 0.0646
Schistosoma mansoni zinc finger protein 0.0026 0.0146 0.0146
Toxoplasma gondii histone lysine methyltransferase SET1 0.0069 0.067 0.9124
Brugia malayi hypothetical protein 0.002 0.0073 0.0024
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.1055 0.2707
Loa Loa (eye worm) hypothetical protein 0.0036 0.0275 0.0574
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0111 0.5
Brugia malayi phosphoinositide-dependent protein kinase I 0.0319 0.3725 1
Brugia malayi jmjC domain containing protein 0.0071 0.07 0.1736
Echinococcus granulosus GPCR family 2 0.0032 0.022 0.022
Loa Loa (eye worm) hypothetical protein 0.0062 0.0596 0.1452
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.0737 0.0737
Loa Loa (eye worm) hypothetical protein 0.0036 0.0275 0.0574
Toxoplasma gondii exonuclease III APE 0.0023 0.0111 0.0693
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0111 0.0126
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0319 0.3725 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0085 0.0085
Trichomonas vaginalis AGC family protein kinase 0.0319 0.3725 1
Mycobacterium leprae Probable lipase LipE 0.0036 0.0275 0.5
Brugia malayi beta-lactamase family protein 0.0036 0.0275 0.0574
Schistosoma mansoni hypothetical protein 0.0025 0.0137 0.0137
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0205 0.2114
Brugia malayi Bromodomain containing protein 0.0046 0.0398 0.091
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.022 0.022
Echinococcus granulosus cpg binding protein 0.0039 0.0309 0.0309
Loa Loa (eye worm) hypothetical protein 0.0036 0.0275 0.0574
Loa Loa (eye worm) hypothetical protein 0.0053 0.0486 0.1151
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0275 0.0646
Mycobacterium tuberculosis Conserved protein 0.0036 0.0275 0.0646
Echinococcus granulosus zinc finger protein 0.0026 0.0146 0.0146
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0275 0.2659
Brugia malayi beta-lactamase 0.0036 0.0275 0.0574
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.003 0.0205 0.0383
Schistosoma mansoni survival motor neuron protein 0.0058 0.0544 0.0544
Brugia malayi hypothetical protein 0.0286 0.3317 0.8887
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0094 0.0094
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.1306 0.1306
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0065 0.0065
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0275 0.0275
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0728 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0363 0.0363
Onchocerca volvulus 0.0058 0.0544 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0111 0.2394
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0085 0.0085
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0728 0.0728
Echinococcus granulosus lysine specific demethylase 5A 0.0075 0.0752 0.0752
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0275 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0094 0.008
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0319 0.3725 1
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0019 0.0065 0.0263
Schistosoma mansoni ap endonuclease 0.0023 0.0111 0.0111
Echinococcus multilocularis zinc finger protein 0.0026 0.0146 0.0146
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0205 0.6762
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.1055 0.2707
Echinococcus granulosus 3-phosphoinositide-dependent protein kinase 1 0.0319 0.3725 0.3725
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.019 0.019
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0728 0.0728
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0065 0.0065
Loa Loa (eye worm) hypothetical protein 0.0036 0.0275 0.0574
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0275 0.0275
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0205 0.6762
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0456 0.0956
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0275 0.0454
Schistosoma mansoni cpg binding protein 0.0039 0.0309 0.0309
Loa Loa (eye worm) hypothetical protein 0.0036 0.0275 0.0574
Echinococcus multilocularis GPCR, family 2 0.0032 0.022 0.022
Brugia malayi hypothetical protein 0.003 0.0205 0.0383
Echinococcus granulosus expressed conserved protein 0.0112 0.1196 0.1196
Echinococcus multilocularis protein dispatched 1 0.0058 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0286 0.3317 0.8887
Leishmania major hypothetical protein, conserved 0.003 0.0205 0.2181
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.0456 0.0456
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0731 0.0731
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0111 0.328
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0111 0.2394
Schistosoma mansoni hypothetical protein 0.0032 0.022 0.022
Trichomonas vaginalis AGC family protein kinase 0.0319 0.3725 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0257 0.0525
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0205 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0544 0.131
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5859 0.5859
Schistosoma mansoni cpg binding protein 0.0035 0.0257 0.0257
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0275 0.0454
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0065 0.0065
Echinococcus granulosus phd:f box containing protein 0.0019 0.0065 0.0065
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0111 0.5
Schistosoma mansoni hypothetical protein 0.0058 0.0544 0.0544
Loa Loa (eye worm) hypothetical protein 0.0068 0.0669 0.1651
Schistosoma mansoni ap endonuclease 0.0023 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0051 0.0456 0.1069
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.07 0.07
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0065 0.0065
Brugia malayi CHE-14 protein 0.0051 0.0456 0.1069
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0275 0.0454
Brugia malayi Protein kinase domain containing protein 0.0319 0.3725 1
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.1284 0.3247
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.0456 0.1069
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0363 0.0363
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0275 0.0646
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0275 0.0454
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0275 1
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0728 0.0728
Loa Loa (eye worm) hypothetical protein 0.01 0.1055 0.2707
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0085 0.0085
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.0456 0.0456
Loa Loa (eye worm) hypothetical protein 0.0085 0.0875 0.2215
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0094 0.008
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0275 0.0275
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0065 0.0065
Brugia malayi jmjC domain containing protein 0.0075 0.0752 0.1879
Onchocerca volvulus 0.0036 0.0275 0.0631
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.022 0.0425
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0065 0.0263
Brugia malayi Bromodomain containing protein 0.0093 0.0962 0.2453
Schistosoma mansoni hypothetical protein 0.0032 0.022 0.022
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0137 0.0199
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0065 0.0065
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.1284 0.1284
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.1055 0.2707
Schistosoma mansoni cpg binding protein 0.0039 0.0309 0.0309
Brugia malayi beta-lactamase family protein 0.0036 0.0275 0.0574
Schistosoma mansoni hypothetical protein 0.0049 0.0433 0.0433
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.3317 0.3317
Echinococcus multilocularis 3 phosphoinositide dependent protein kinase 1 0.0319 0.3725 0.3725
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5859 0.5859
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0205 0.6762
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0728 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.022 0.0425
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0275 0.0646
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.022 0.0425
Loa Loa (eye worm) jmjC domain-containing protein 0.0075 0.0752 0.1879
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0275 0.0454
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.019 0.019
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0275 0.0275
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0728 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0205 0.6675
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0111 0.0126
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.0119 0.1284 0.3332
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0111 0.0772
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.3317 0.3317
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0094 0.0094
Schistosoma mansoni jumonji domain containing protein 0.0071 0.07 0.07
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0669 0.1651
Echinococcus multilocularis protein patched 0.0051 0.0456 0.0456
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0111 0.2189
Schistosoma mansoni hypothetical protein 0.0049 0.0433 0.0433
Toxoplasma gondii ABC1 family protein 0.0036 0.0275 0.3168
Schistosoma mansoni hypothetical protein 0.0049 0.0433 0.0433
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.022 0.022
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0275 0.5
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0019 0.0065 0.0263
Leishmania major hypothetical protein, conserved 0.0019 0.0065 0.0085
Echinococcus multilocularis expressed conserved protein 0.0112 0.1196 0.1196
Schistosoma mansoni hypothetical protein 0.0032 0.022 0.022
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0023 0.0117 0.0117
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.022 0.022

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.585 uM PUBCHEM_BIOASSAY: Fluorescence Cell-Based Dose Response to Characterize Compounds Cytotoxic to RAS-Dependent BJ-TERT-LT-ST Fibroblast. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1554, AID1674] ChEMBL. No reference
EC50 (functional) = 1.215 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 1.332 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Compounds Cytotoxic to BJ-TERT-LT-ST RAS-Independent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
EC50 (functional) = 5.599 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Compounds Cytotoxic to BJeLR RAS-Dependent Fibroblast. (Class of assay: confirmatory) [Related pubchem assays: 1674 (Project Summary), 1554 (Primary HTS)] ChEMBL. No reference
Potency (functional) 0.4654 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1.0297 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 3.1623 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) = 4.4668 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6451 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation in HepG2 cytotox. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) = 5.0119 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) 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) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23
Giardia lamblia

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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