Detailed information for compound 1621441

Basic information

Technical information
  • TDR Targets ID: 1621441
  • Name: N-methyl-1,1-dioxo-N-(pyridin-3-ylmethylidene amino)-1,2-benzothiazol-3-amine
  • MW: 300.336 | Formula: C14H12N4O2S
  • H donors: 0 H acceptors: 3 LogP: 1.23 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C1=NS(=O)(=O)c2c1cccc2)/N=C/c1cccnc1
  • InChi: 1S/C14H12N4O2S/c1-18(16-10-11-5-4-8-15-9-11)14-12-6-2-3-7-13(12)21(19,20)17-14/h2-10H,1H3/b16-10+
  • InChiKey: BEJXPVNCHOTKDK-MHWRWJLKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-methyl-1,1-dioxo-N-(3-pyridylmethyleneamino)-1,2-benzothiazol-3-amine
  • (1,1-diketo-1,2-benzothiazol-3-yl)-methyl-(3-pyridylmethyleneamino)amine
  • nicotinaldehyde (1,1-dioxido-1,2-benzisothiazol-3-yl)(methyl)hydrazone
  • STK133326
  • MLS000585597
  • SMR000207578

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative 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
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase 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
Toxoplasma gondii exonuclease III APE 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
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Retinal dehydrogenase 1, putative 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor 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 multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.2706 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.1181 0.0264
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0024 0.1181 0.0264
Loa Loa (eye worm) melatonin receptor type 1A 0.0024 0.1181 0.4365
Echinococcus granulosus neuropeptide receptor A26 0.0024 0.1181 0.0264
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Echinococcus granulosus g protein coupled receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) intermediate filament protein 0.0033 0.2706 1
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Schistosoma mansoni biogenic amine receptor 0.0024 0.1181 0.0264
Brugia malayi hypothetical protein 0.0043 0.4653 1
Schistosoma mansoni lamin 0.0033 0.2706 0.1947
Echinococcus granulosus tm gpcr rhodopsin 0.0024 0.1181 0.0264
Echinococcus multilocularis neuropeptide Y receptor 0.0024 0.1181 0.0264
Schistosoma mansoni opsin-like receptor 0.0024 0.1181 0.0264
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0942 0.5
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Schistosoma mansoni amine GPCR 0.0024 0.1181 0.0264
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0942 0.5
Schistosoma mansoni adenoreceptor 0.0024 0.1181 0.0264
Echinococcus granulosus neuropeptides capa receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Brugia malayi Dopamine receptor 0.0024 0.1181 0.2539
Brugia malayi GnHR receptor homolog 0.0024 0.1181 0.2539
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0024 0.1181 0.0264
Echinococcus multilocularis g-protein coupled receptor 0.0024 0.1181 0.0264
Echinococcus granulosus lamin dm0 0.0033 0.2706 0.1947
Brugia malayi larval opioid receptor 0.0024 0.1181 0.2539
Echinococcus multilocularis G protein coupled receptor 139 0.0024 0.1181 0.0264
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0024 0.1181 0.0264
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Echinococcus granulosus neuropeptide s receptor 0.0024 0.1181 0.0264
Brugia malayi Serotonin receptor 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus granulosus dro:myosuppressin receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus granulosus biogenic amine 5HT receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) neuropeptide F receptor 0.0024 0.1181 0.4365
Echinococcus granulosus allatostatin A receptor 0.0024 0.1181 0.0264
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0024 0.1181 0.0264
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0942 0.2025
Brugia malayi neuropeptide F receptor 0.0024 0.1181 0.2539
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.1181 0.0264
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0024 0.1181 0.4365
Echinococcus granulosus tm gpcr rhodopsin 0.0024 0.1181 0.0264
Echinococcus granulosus fmrfamide receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni hypothetical protein 0.0024 0.1181 0.0264
Echinococcus multilocularis fmrfamide receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0024 0.1181 0.0264
Echinococcus granulosus peptide allatostatin:somatostatin 0.0024 0.1181 0.0264
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis g protein coupled receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus multilocularis serotonin receptor 0.0024 0.1181 0.0264
Brugia malayi intermediate filament protein 0.0033 0.2706 0.5815
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus granulosus lamin 0.0033 0.2706 0.1947
Loa Loa (eye worm) TYRA-2 protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus granulosus orexin receptor type 2 0.0024 0.1181 0.0264
Echinococcus multilocularis musashi 0.0033 0.2706 0.1947
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0024 0.1181 0.0264
Echinococcus granulosus biogenic amine 5HT receptor 0.0024 0.1181 0.0264
Schistosoma mansoni hypothetical protein 0.0024 0.1181 0.0264
Brugia malayi Melatonin receptor type 1A 0.0024 0.1181 0.2539
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0942 0.3482
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni neuropeptide receptor 0.0024 0.1181 0.0264
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.1181 0.0264
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0024 0.1181 0.0264
Schistosoma mansoni amine GPCR 0.0024 0.1181 0.0264
Schistosoma mansoni intermediate filament proteins 0.0033 0.2706 0.1947
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0024 0.1181 0.0264
Echinococcus granulosus tm gpcr rhodopsin 0.0024 0.1181 0.0264
Entamoeba histolytica hypothetical protein 0.0043 0.4653 1
Echinococcus granulosus hypothetical protein 0.0024 0.1181 0.0264
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis neuropeptide receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis neuropeptide receptor 0.0024 0.1181 0.0264
Echinococcus granulosus alpha 1A adrenergic receptor 0.0024 0.1181 0.0264
Brugia malayi RE15519p 0.0024 0.1181 0.2539
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0024 0.1181 0.0264
Echinococcus granulosus serotonin receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni biogenic amine receptor 0.0024 0.1181 0.0264
Schistosoma mansoni biogenic amine receptor 0.0024 0.1181 0.0264
Entamoeba histolytica hypothetical protein 0.0043 0.4653 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Schistosoma mansoni neuropeptide receptor 0.0024 0.1181 0.0264
Brugia malayi Dopamine receptor protein 1 0.0024 0.1181 0.2539
Schistosoma mansoni growth hormone secretagogue receptor 0.0024 0.1181 0.0264
Brugia malayi ORL1-like opioid receptor 0.0024 0.1181 0.2539
Schistosoma mansoni amine GPCR 0.0024 0.1181 0.0264
Echinococcus granulosus neuropeptide Y receptor 0.0024 0.1181 0.0264
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0024 0.1181 0.0264
Echinococcus multilocularis neuropeptide Y receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) G-protein coupled receptor 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus granulosus somatostatin receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) neuropeptide F receptor 0.0024 0.1181 0.4365
Echinococcus multilocularis lamin dm0 0.0033 0.2706 0.1947
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0942 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0942 0.5
Schistosoma mansoni neuropeptide f receptor 76f 0.0024 0.1181 0.0264
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0024 0.1181 0.2539
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Brugia malayi follicle stimulating hormone receptor 0.0024 0.1181 0.2539
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Brugia malayi G protein-coupled receptor 0.0024 0.1181 0.2539
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0024 0.1181 0.0264
Entamoeba histolytica hypothetical protein 0.0043 0.4653 1
Echinococcus multilocularis neuropeptides capa receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis g protein coupled receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis neuropeptides capa receptor 0.0024 0.1181 0.0264
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus multilocularis somatostatin receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis dro:myosuppressin receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis G-protein coupled receptor, putative 0.0024 0.1181 0.0264
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0942 0.5
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0024 0.1181 0.4365
Echinococcus multilocularis serotonin receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0024 0.1181 0.0264
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0024 0.1181 0.0264
Brugia malayi Serotonin receptor 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Brugia malayi Dopamine receptor protein 2 0.0024 0.1181 0.2539
Schistosoma mansoni neuropeptide F-like receptor 0.0024 0.1181 0.0264
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.2706 0.5815
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni hypothetical protein 0.0024 0.1181 0.0264
Onchocerca volvulus 0.0033 0.2706 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Brugia malayi Tachykinin-like peptides receptor 99D 0.0024 0.1181 0.2539
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus granulosus neuropeptide FF receptor 2 0.0024 0.1181 0.0264
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.4653 0.4097
Brugia malayi sulfakinin receptor protein 0.0024 0.1181 0.2539
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0033 0.2706 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.1181 0.0264
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0024 0.1181 0.0264
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0024 0.1181 0.0264
Onchocerca volvulus 0.0033 0.2706 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.1181 0.0264
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.4653 0.4097
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni biogenic amine (5HT) receptor 0.0024 0.1181 0.0264
Schistosoma mansoni neuropeptide receptor 0.0024 0.1181 0.0264
Echinococcus multilocularis lamin 0.0033 0.2706 0.1947
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Echinococcus multilocularis g protein coupled receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0024 0.1181 0.0264
Echinococcus granulosus neuropeptide receptor 0.0024 0.1181 0.0264
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0024 0.1181 0.0264
Brugia malayi AKH receptor 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus granulosus g-protein coupled receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0024 0.1181 0.0264
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Brugia malayi G-protein coupled receptor 0.0024 0.1181 0.2539
Schistosoma mansoni histamine h1 receptor 0.0024 0.1181 0.0264
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0942 0.5
Echinococcus granulosus neuropeptide receptor 0.0024 0.1181 0.0264
Brugia malayi putative neuropeptide receptor 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.1181 0.0264
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0024 0.1181 0.0264
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0024 0.1181 0.0264
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0024 0.1181 0.2539
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.4653 0.4097
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0024 0.1181 0.4365
Echinococcus granulosus g protein coupled receptor 0.0024 0.1181 0.0264
Echinococcus granulosus rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0942 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.2599 0.9606
Schistosoma mansoni alpha-1 adrenergic receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) G-protein coupled receptor 0.0024 0.1181 0.4365
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.1181 0.0264
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0024 0.1181 0.0264
Echinococcus granulosus 7tm_1 domain containing protein 0.0024 0.1181 0.0264
Echinococcus granulosus G protein coupled receptor 139 0.0024 0.1181 0.0264
Echinococcus multilocularis orexin receptor type 2 0.0024 0.1181 0.0264
Brugia malayi G-protein coupled receptor 0.0024 0.1181 0.2539
Schistosoma mansoni lamin 0.0033 0.2706 0.1947
Echinococcus multilocularis allatostatin A receptor 0.0024 0.1181 0.0264
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.1181 0.0264
Schistosoma mansoni opsin-like receptor 0.0024 0.1181 0.0264
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0942 0.5
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0024 0.1181 0.0264
Schistosoma mansoni hypothetical protein 0.0024 0.1181 0.0264
Echinococcus granulosus g protein coupled receptor 0.0024 0.1181 0.0264
Schistosoma mansoni hypothetical protein 0.0043 0.4653 0.4097
Echinococcus granulosus intermediate filament protein 0.0033 0.2706 0.1947
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0942 0.5
Echinococcus granulosus neuropeptide Y receptor 0.0024 0.1181 0.0264
Schistosoma mansoni amine GPCR 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0024 0.1181 0.0264
Echinococcus granulosus tachykinin peptides receptor 99D 0.0024 0.1181 0.0264
Echinococcus multilocularis neuropeptide receptor A26 0.0024 0.1181 0.0264
Echinococcus granulosus neuropeptides capa receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Schistosoma mansoni biogenic amine (5HT) receptor 0.0024 0.1181 0.0264
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0024 0.1181 0.0264
Schistosoma mansoni neuropeptide receptor 0.0024 0.1181 0.0264
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Brugia malayi putative neuropeptide receptor NPR1 0.0024 0.1181 0.2539
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Echinococcus multilocularis sex peptide receptor 0.0024 0.1181 0.0264
Schistosoma mansoni neuropeptide F-like receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Brugia malayi neuropeptide F receptor 0.0024 0.1181 0.2539
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Brugia malayi hypothetical protein 0.0024 0.1181 0.2539
Schistosoma mansoni myosin xvIII 0.0024 0.1181 0.0264
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus multilocularis fmrfamide receptor 0.0024 0.1181 0.0264
Schistosoma mansoni amine GPCR 0.0024 0.1181 0.0264
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0942 0.5
Echinococcus multilocularis neuropeptide FF receptor 2 0.0024 0.1181 0.0264
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Loa Loa (eye worm) hypothetical protein 0.0024 0.1181 0.4365
Echinococcus multilocularis neuropeptide s receptor 0.0024 0.1181 0.0264
Schistosoma mansoni opsin-like receptor 0.0024 0.1181 0.0264
Entamoeba histolytica hypothetical protein 0.0043 0.4653 1
Echinococcus granulosus 7TM GPCR rhodopsin 0.0024 0.1181 0.0264
Echinococcus multilocularis rhodopsin orphan GPCR 0.0024 0.1181 0.0264
Echinococcus granulosus sex peptide receptor 0.0024 0.1181 0.0264

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) = 18.8699 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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