Detailed information for compound 1569751

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 398.502 | Formula: C19H18N4O2S2
  • H donors: 2 H acceptors: 2 LogP: 4.65 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(ccc1OC)Nc1nc(NCc2cccs2)nc2c1scc2
  • InChi: 1S/C19H18N4O2S2/c1-24-15-6-5-12(10-16(15)25-2)21-18-17-14(7-9-27-17)22-19(23-18)20-11-13-4-3-8-26-13/h3-10H,11H2,1-2H3,(H2,20,21,22,23)
  • InChiKey: YMBFYSVSIQCXRQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Human immunodeficiency virus 1 Aberrant vpr protein Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens acid phosphatase 1, soluble Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Entamoeba histolytica protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans N terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans 3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) Get druggable targets OG5_127571 All targets in OG5_127571
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Leishmania infantum isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_127571 All targets in OG5_127571
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) phosphotyrosine protein phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA Get druggable targets OG5_127571 All targets in OG5_127571
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein Get druggable targets OG5_127057 All targets in OG5_127057
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein Get druggable targets OG5_127571 All targets in OG5_127571
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative Get druggable targets OG5_127571 All targets in OG5_127571
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Candida albicans C terminus of potential Low molecular weight phosphoTyrosine Phosphatase Get druggable targets OG5_127571 All targets in OG5_127571
Brugia malayi Isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Mycobacterium tuberculosis Probable acyl-[acyl-carrier protein] desaturase DesA1 (acyl-[ACP] desaturase) (stearoyl-ACP desaturase) (protein Des) acid phosphatase 1, soluble 112 aa 107 aa 24.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) neuropeptide F receptor 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0226 1 1
Echinococcus granulosus neuropeptide receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) neuropeptide F receptor 0.0031 0.0589 0.0589
Echinococcus multilocularis biogenic amine (5HT) receptor 0.0031 0.0589 1
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0031 0.0589 0.0589
Brugia malayi Serotonin receptor 0.0031 0.0589 0.0589
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0589 1
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0031 0.0589 0.0589
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0031 0.0589 0.5519
Echinococcus multilocularis neuropeptide receptor A26 0.0031 0.0589 1
Echinococcus multilocularis peptide (allatostatin:somatostatin) 0.0031 0.0589 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0589 1
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus tm gpcr rhodopsin 0.0031 0.0589 1
Echinococcus multilocularis neuropeptide receptor 0.0031 0.0589 1
Echinococcus granulosus G protein coupled receptor 139 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus hypothetical protein 0.0031 0.0589 1
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 1 0.5
Echinococcus granulosus neuropeptide receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0 0.5
Echinococcus multilocularis tachykinin peptides receptor 99D 0.0031 0.0589 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0031 0.0589 0.5519
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0182 0.7901 0.7901
Brugia malayi GnHR receptor homolog 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni opsin-like receptor 0.0031 0.0589 0.5519
Echinococcus multilocularis neuropeptides capa receptor 0.0031 0.0589 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6049 0.6049
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0031 0.0589 0.0589
Echinococcus granulosus alpha 1A adrenergic receptor 0.0031 0.0589 1
Schistosoma mansoni myosin xvIII 0.0031 0.0589 0.5519
Echinococcus multilocularis sex peptide receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus multilocularis fmrfamide receptor 0.0031 0.0589 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 1 1
Loa Loa (eye worm) G-protein coupled receptor 0.0031 0.0589 0.0589
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0031 0.0589 0.0589
Brugia malayi Dopamine receptor protein 1 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni neuropeptide receptor 0.0031 0.0589 0.5519
Brugia malayi hypothetical protein 0.0182 0.7901 0.7901
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0589 1
Brugia malayi G protein-coupled receptor 0.0031 0.0589 0.0589
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0031 0.0589 0.0589
Echinococcus granulosus orexin receptor type 2 0.0031 0.0589 1
Echinococcus multilocularis serotonin receptor 0.0031 0.0589 1
Echinococcus granulosus somatostatin receptor 0.0031 0.0589 1
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0031 0.0589 0.5519
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Brugia malayi neuropeptide F receptor 0.0031 0.0589 0.0589
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0589 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6049 0.6049
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0226 1 1
Echinococcus multilocularis G protein coupled receptor 139 0.0031 0.0589 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0589 1
Echinococcus multilocularis serotonin receptor 0.0031 0.0589 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.2444 1
Echinococcus multilocularis 7TM GPCR, rhodopsin 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Brugia malayi follicle stimulating hormone receptor 0.0031 0.0589 0.0589
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Brugia malayi ORL1-like opioid receptor 0.0031 0.0589 0.0589
Echinococcus granulosus g protein coupled receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus g protein coupled receptor 0.0031 0.0589 1
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus dro:myosuppressin receptor 0.0031 0.0589 1
Schistosoma mansoni opsin-like receptor 0.0031 0.0589 0.5519
Schistosoma mansoni alpha-1 adrenergic receptor 0.0031 0.0589 0.5519
Brugia malayi putative neuropeptide receptor 0.0031 0.0589 0.0589
Echinococcus multilocularis neuropeptides capa receptor 0.0031 0.0589 1
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus 7tm_1 domain containing protein 0.0031 0.0589 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0031 0.0589 0.5519
Echinococcus granulosus pyroglutamylated rfamide peptide receptor 0.0031 0.0589 1
Brugia malayi G protein-coupled receptor F59B2.13 0.0031 0.0589 0.0589
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0031 0.0589 0.5519
Echinococcus granulosus tachykinin peptides receptor 99D 0.0031 0.0589 1
Echinococcus granulosus neuropeptide Y receptor 0.0031 0.0589 1
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Leishmania major hypothetical protein, conserved 0.007 0.2444 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0589 0.5519
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0589 0.5519
Loa Loa (eye worm) melatonin receptor type 1A 0.0031 0.0589 0.0589
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0031 0.0589 0.5519
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni neuropeptide f receptor 76f 0.0031 0.0589 0.5519
Echinococcus multilocularis g-protein coupled receptor 0.0031 0.0589 1
Echinococcus multilocularis alpha 1A adrenergic receptor 0.0031 0.0589 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0589 1
Echinococcus multilocularis thyrotropin releasing hormone receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.1067 0.1067
Echinococcus granulosus neuropeptide s receptor 0.0031 0.0589 1
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0589 1
Onchocerca volvulus 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0 0.5
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0031 0.0589 0.5519
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0589 1
Schistosoma mansoni biogenic amine receptor 0.0031 0.0589 0.5519
Echinococcus granulosus 7TM GPCR rhodopsin 0.0031 0.0589 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0226 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Brugia malayi G-protein coupled receptor 0.0031 0.0589 0.0589
Loa Loa (eye worm) TYRA-2 protein 0.0031 0.0589 0.0589
Brugia malayi Dopamine receptor 0.0031 0.0589 0.0589
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus multilocularis allatostatin A receptor 0.0031 0.0589 1
Schistosoma mansoni amine GPCR 0.0031 0.0589 0.5519
Echinococcus granulosus neuropeptide FF receptor 2 0.0031 0.0589 1
Echinococcus granulosus sex peptide receptor 0.0031 0.0589 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0589 0.5519
Brugia malayi sulfakinin receptor protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni biogenic amine receptor 0.0031 0.0589 0.5519
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0031 0.0589 1
Echinococcus granulosus fmrfamide receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1988 0.1988
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0589 1
Schistosoma mansoni neuropeptide F-like receptor 0.0031 0.0589 0.5519
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0031 0.0589 0.0589
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0589 1
Echinococcus multilocularis neuropeptide Y receptor 0.0031 0.0589 1
Schistosoma mansoni hypothetical protein 0.0031 0.0589 0.5519
Brugia malayi AKH receptor 0.0031 0.0589 0.0589
Schistosoma mansoni amine GPCR 0.0031 0.0589 0.5519
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0031 0.0589 0.5519
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1067 0.1067
Brugia malayi neuropeptide F receptor 0.0031 0.0589 0.0589
Echinococcus multilocularis neuropeptide FF receptor 2 0.0031 0.0589 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0589 0.5519
Echinococcus multilocularis fmrfamide receptor 0.0031 0.0589 1
Brugia malayi Tachykinin-like peptides receptor 99D 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus g-protein coupled receptor 0.0031 0.0589 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0589 0.5519
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Echinococcus multilocularis g protein coupled receptor 0.0031 0.0589 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0589 0.5519
Schistosoma mansoni biogenic amine receptor 0.0031 0.0589 0.5519
Echinococcus granulosus allatostatin A receptor 0.0031 0.0589 1
Onchocerca volvulus 0.0182 0.7901 0.777
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0031 0.0589 0.5519
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0589 1
Schistosoma mansoni neuropeptide receptor 0.0031 0.0589 0.5519
Echinococcus granulosus neuropeptide Y receptor 0.0031 0.0589 1
Echinococcus granulosus biogenic amine 5HT receptor 0.0031 0.0589 1
Brugia malayi G-protein coupled receptor 0.0031 0.0589 0.0589
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0031 0.0589 0.0589
Schistosoma mansoni hypothetical protein 0.0031 0.0589 0.5519
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0031 0.0589 0.0589
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0589 1
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0031 0.0589 0.5519
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni amine GPCR 0.0031 0.0589 0.5519
Schistosoma mansoni hypothetical protein 0.0031 0.0589 0.5519
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0589 0.5519
Echinococcus multilocularis pyroglutamylated rfamide peptide receptor 0.0031 0.0589 1
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0031 0.0589 0.5519
Echinococcus multilocularis neuropeptide Y receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni hypothetical protein 0.0031 0.0589 0.5519
Echinococcus multilocularis G-protein coupled receptor, putative 0.0031 0.0589 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.2444 1
Echinococcus multilocularis dro:myosuppressin receptor 0.0031 0.0589 1
Loa Loa (eye worm) G-protein coupled receptor 0.0031 0.0589 0.0589
Echinococcus granulosus neuropeptides capa receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0031 0.0589 0.5519
Echinococcus multilocularis G protein coupled 5 hydroxytryptamine receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus thyrotropin releasing hormone receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0226 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Brugia malayi RE15519p 0.0031 0.0589 0.0589
Schistosoma mansoni amine GPCR 0.0031 0.0589 0.5519
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0589 1
Schistosoma mansoni amine GPCR 0.0031 0.0589 0.5519
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni neuropeptide receptor 0.0031 0.0589 0.5519
Brugia malayi Dopamine receptor protein 2 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus biogenic amine 5HT receptor 0.0031 0.0589 1
Echinococcus multilocularis neuropeptide s receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus multilocularis growth hormone secretagogue receptor type 1 0.0031 0.0589 1
Schistosoma mansoni hypothetical protein 0.0041 0.1067 1
Schistosoma mansoni growth hormone secretagogue receptor 0.0031 0.0589 0.5519
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus neuropeptides capa receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Brugia malayi putative neuropeptide receptor NPR1 0.0031 0.0589 0.0589
Schistosoma mansoni adenoreceptor 0.0031 0.0589 0.5519
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus multilocularis g protein coupled receptor 0.0031 0.0589 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0589 0.5519
Echinococcus granulosus tm gpcr rhodopsin 0.0031 0.0589 1
Schistosoma mansoni neuropeptide F-like receptor 0.0031 0.0589 0.5519
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0 0.5
Brugia malayi larval opioid receptor 0.0031 0.0589 0.0589
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Schistosoma mansoni opsin-like receptor 0.0031 0.0589 0.5519
Echinococcus granulosus tm gpcr rhodopsin 0.0031 0.0589 1
Schistosoma mansoni histamine h1 receptor 0.0031 0.0589 0.5519
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0031 0.0589 0.5519
Echinococcus granulosus serotonin receptor 0.0031 0.0589 1
Schistosoma mansoni neuropeptide receptor 0.0031 0.0589 0.5519
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0156 0.6633 1
Echinococcus multilocularis tm gpcr rhodopsin gpcr rhodopsin superfamily 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Brugia malayi Serotonin receptor 0.0031 0.0589 0.0589
Echinococcus multilocularis rhodopsin orphan GPCR 0.0031 0.0589 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0031 0.0589 0.5519
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1988 0.1988
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1988 0.1988
Echinococcus multilocularis g protein coupled receptor 0.0031 0.0589 1
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.007 0.2444 1
Echinococcus multilocularis neuropeptide receptor 0.0031 0.0589 1
Echinococcus granulosus peptide allatostatin:somatostatin 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1988 0.1988
Echinococcus granulosus G protein coupled 5 hydroxytryptamine receptor 0.0031 0.0589 1
Echinococcus granulosus rhodopsin orphan GPCR 0.0031 0.0589 1
Schistosoma mansoni biogenic amine (5HT) receptor 0.0031 0.0589 0.5519
Brugia malayi MH2 domain containing protein 0.0144 0.6049 0.6049
Echinococcus multilocularis orexin receptor type 2 0.0031 0.0589 1
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0031 0.0589 0.0589
Echinococcus granulosus g protein linked acetylcholine receptor gar 2a 0.0031 0.0589 1
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0031 0.0589 0.5519
Brugia malayi hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus growth hormone secretagogue receptor type 1 0.0031 0.0589 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 1 1
Echinococcus granulosus g protein coupled receptor 0.0031 0.0589 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0226 1 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0226 1 0.5
Echinococcus multilocularis g protein linked acetylcholine receptor gar 2a 0.0031 0.0589 1
Echinococcus multilocularis somatostatin receptor 0.0031 0.0589 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589
Echinococcus granulosus neuropeptide receptor A26 0.0031 0.0589 1
Brugia malayi Melatonin receptor type 1A 0.0031 0.0589 0.0589
Loa Loa (eye worm) hypothetical protein 0.0031 0.0589 0.0589

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 11.6 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in an orthogonal absorbance-based assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 16.4 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, via a fluorescence intensity assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 22.7 uM PubChem BioAssay. Dose response confirmation of small molecule inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase, LMPTP, in a fluorescence-based, Lymphoid Phosphatase (PTPN22, LYP-1) selectivity Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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