Detailed information for compound 1373122

Basic information

Technical information
  • TDR Targets ID: 1373122
  • Name: 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimid in-2-yl)sulfanylpyrrolidine-2,5-dione
  • MW: 341.427 | Formula: C18H19N3O2S
  • H donors: 0 H acceptors: 4 LogP: 3.19 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc(nc(c1)C)SC1CC(=O)N(C1=O)c1ccc(c(c1)C)C
  • InChi: 1S/C18H19N3O2S/c1-10-5-6-14(7-11(10)2)21-16(22)9-15(17(21)23)24-18-19-12(3)8-13(4)20-18/h5-8,15H,9H2,1-4H3
  • InChiKey: PTRUFPMMXBYWDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(3,4-dimethylphenyl)-3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-pyrrolidine-2,5-dione
  • 1-(3,4-dimethylphenyl)-3-[(4,6-dimethyl-2-pyrimidinyl)thio]pyrrolidine-2,5-dione
  • 1-(3,4-dimethylphenyl)-3-[(4,6-dimethylpyrimidin-2-yl)thio]pyrrolidine-2,5-quinone
  • STK007755
  • MLS001185522
  • SMR000502161

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens Niemann-Pick disease, type C1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi Isocitrate dehydrogenase 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
Schistosoma japonicum ko:K07003 Niemann Pick type C1, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Toxoplasma gondii 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
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Niemann-Pick C1 protein precursor 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 granulosus expressed conserved protein Get druggable targets OG5_128206 All targets in OG5_128206
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni niemann-pick C1 (NPC1) 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
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis isocitrate dehydrogenase 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 congolense isocitrate dehydrogenase, putative 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
Echinococcus granulosus NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Entamoeba histolytica Niemann-Pick C1 protein, putative Get druggable targets OG5_128206 All targets in OG5_128206
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
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans cytosolic NADP-specific isocitrate dehydrogenase. 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
Echinococcus multilocularis NADP dependent 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
Toxoplasma gondii 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
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma brucei isocitrate dehydrogenase, 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
Candida albicans Mitochondrial NADP-specific 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
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trypanosoma brucei gambiense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128206 All targets in OG5_128206
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Niemann-Pick C1 protein precursor, putative Get druggable targets OG5_128206 All targets in OG5_128206
Echinococcus granulosus Niemann Pick C1 protein Get druggable targets OG5_128206 All targets in OG5_128206
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1424 0.0615
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0861 0.0263
Brugia malayi AKH receptor 0.0045 0.0861 0.1696
Brugia malayi G-protein coupled receptor 0.0045 0.0861 0.1696
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1709 0.3365
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Echinococcus granulosus tar DNA binding protein 0.0076 0.2644 0.1951
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0861 0.0263
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi G protein-coupled receptor 0.0045 0.0861 0.1696
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.1182 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi neuropeptide F receptor 0.0045 0.0861 0.1696
Schistosoma mansoni alpha-1 adrenergic receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0045 0.0861 0.1696
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1424 0.0615
Loa Loa (eye worm) RNA binding protein 0.0076 0.2644 0.5207
Loa Loa (eye worm) neuropeptide F receptor 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Trypanosoma brucei PAB1-binding protein , putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0062 0.1841 0.3625
Schistosoma mansoni biogenic amine (5HT) receptor 0.0045 0.0861 0.0263
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0861 0.0263
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0045 0.0861 0.0263
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1424 0.0615
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni amine GPCR 0.0045 0.0861 0.0263
Loa Loa (eye worm) G-protein coupled receptor 0.0045 0.0861 0.1696
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni adenoreceptor 0.0045 0.0861 0.0263
Brugia malayi GnHR receptor homolog 0.0045 0.0861 0.1696
Brugia malayi Dopamine receptor protein 1 0.0045 0.0861 0.1696
Brugia malayi Tachykinin-like peptides receptor 99D 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni myosin xvIII 0.0045 0.0861 0.0263
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0045 0.0861 0.0263
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0615 0.1211
Loa Loa (eye worm) neuropeptide F receptor 0.0045 0.0861 0.1696
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) TYRA-2 protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0051 0.1182 0.2327
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1424 0.0615
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0045 0.0861 0.1696
Echinococcus multilocularis expressed conserved protein 0.0112 0.4664 0.4161
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1424 0.2804
Echinococcus multilocularis Niemann Pick C1 protein 0.017 0.8007 0.7819
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2644 0.2162
Schistosoma mansoni neuropeptide F-like receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) melatonin receptor type 1A 0.0045 0.0861 0.1696
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Onchocerca volvulus Neuropeptide F receptor homolog 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1709 0.3365
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1424 0.0862
Schistosoma mansoni amine GPCR 0.0045 0.0861 0.0263
Schistosoma mansoni neuropeptide receptor 0.0045 0.0861 0.0263
Brugia malayi G protein-coupled receptor F59B2.13 0.0045 0.0861 0.1696
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2644 0.1951
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni hypothetical protein 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0861 0.0263
Schistosoma mansoni hypothetical protein 0.0205 1 1
Brugia malayi putative neuropeptide receptor 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi follicle stimulating hormone receptor 0.0045 0.0861 0.1696
Schistosoma mansoni opsin-like receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0045 0.0861 0.1696
Schistosoma mansoni biogenic amine (5HT) receptor 0.0045 0.0861 0.0263
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2644 0.2162
Toxoplasma gondii LsmAD domain-containing protein 0.003 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2644 0.2162
Brugia malayi ORL1-like opioid receptor 0.0045 0.0861 0.1696
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0119 0.5078 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1709 0.3365
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi G-protein coupled receptor 0.0045 0.0861 0.1696
Schistosoma mansoni neuropeptide receptor 0.0045 0.0861 0.0263
Brugia malayi TAR-binding protein 0.0076 0.2644 0.5207
Brugia malayi putative neuropeptide receptor NPR1 0.0045 0.0861 0.1696
Schistosoma mansoni neuropeptide f receptor 76f 0.0045 0.0861 0.0263
Schistosoma mansoni hypothetical protein 0.0049 0.1076 0.0491
Schistosoma mansoni hypothetical protein 0.0049 0.1076 0.0491
Schistosoma mansoni biogenic amine receptor 0.0045 0.0861 0.0263
Schistosoma mansoni opsin-like receptor 0.0045 0.0861 0.0263
Brugia malayi Melatonin receptor type 1A 0.0045 0.0861 0.1696
Onchocerca volvulus 0.0045 0.0861 0.5
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0121 0.5184 0.4868
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Onchocerca volvulus 0.0045 0.0861 0.5
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0045 0.0861 0.1696
Schistosoma mansoni histamine h1 receptor 0.0045 0.0861 0.0263
Schistosoma mansoni amine GPCR 0.0045 0.0861 0.0263
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi Serotonin receptor 0.0045 0.0861 0.1696
Echinococcus multilocularis protein dispatched 1 0.0058 0.1595 0.0803
Onchocerca volvulus Dopamine\/Ecdysteroid receptor homolog 0.0045 0.0861 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0045 0.0861 0.0263
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0041 0.0615 0.1211
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi Dopamine receptor protein 2 0.0045 0.0861 0.1696
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi neuropeptide F receptor 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi RE15519p 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1424 0.0862
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Leishmania major hypothetical protein, conserved 0.003 0 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1424 0.2804
Onchocerca volvulus 0.0045 0.0861 0.5
Onchocerca volvulus 0.0045 0.0861 0.5
Onchocerca volvulus 0.0045 0.0861 0.5
Brugia malayi larval opioid receptor 0.0045 0.0861 0.1696
Schistosoma mansoni opsin-like receptor 0.0045 0.0861 0.0263
Onchocerca volvulus 0.0045 0.0861 0.5
Schistosoma mansoni hypothetical protein 0.0049 0.1076 0.0491
Schistosoma mansoni biogenic amine receptor 0.0045 0.0861 0.0263
Schistosoma mansoni patched 1 0.0051 0.1182 0.0604
Plasmodium vivax ataxin-2 like protein, putative 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi CHE-14 protein 0.0051 0.1182 0.2327
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Echinococcus multilocularis protein patched 0.0051 0.1182 0.035
Echinococcus granulosus Niemann Pick C1 protein 0.017 0.8007 0.7819
Schistosoma mansoni hypothetical protein 0.0045 0.0861 0.0263
Echinococcus granulosus Niemann Pick C1 protein 0.0119 0.5078 0.4614
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1709 0.3365
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0045 0.0861 0.1696
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi Niemann-Pick C1 protein precursor 0.0119 0.5078 1
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) hypothetical protein 0.0051 0.1182 0.2327
Schistosoma mansoni hypothetical protein 0.0045 0.0861 0.0263
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0861 0.0263
Schistosoma mansoni hypothetical protein 0.0045 0.0861 0.0263
Schistosoma mansoni neuropeptide F-like receptor 0.0045 0.0861 0.0263
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0045 0.0861 0.1696
Brugia malayi RNA binding protein 0.0076 0.2644 0.5207
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2644 0.2162
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0045 0.0861 0.0263
Schistosoma mansoni hypothetical protein 0.0049 0.1076 0.0491
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0861 0.0263
Echinococcus granulosus Protein patched homolog 1 0.0051 0.1182 0.035
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni neuropeptide receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0045 0.0861 0.1696
Onchocerca volvulus 0.0045 0.0861 0.5
Loa Loa (eye worm) G-protein coupled receptor 0.0045 0.0861 0.1696
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2644 0.5207
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi Dopamine receptor 0.0045 0.0861 0.1696
Echinococcus granulosus expressed conserved protein 0.0112 0.4664 0.4161
Schistosoma mansoni neuropeptide receptor 0.0045 0.0861 0.0263
Schistosoma mansoni biogenic amine receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1424 0.0862
Echinococcus multilocularis Niemann Pick C1 protein 0.0119 0.5078 0.4614
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0045 0.0861 0.0263
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0119 0.5078 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2644 0.2162
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Echinococcus multilocularis geminin 0.0205 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0 0.5
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Brugia malayi Serotonin receptor 0.0045 0.0861 0.1696
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0045 0.0861 0.1696
Echinococcus multilocularis sterol regulatory element binding protein 0.0051 0.1182 0.035
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0045 0.0861 0.0263
Schistosoma mansoni amine GPCR 0.0045 0.0861 0.0263
Schistosoma mansoni growth hormone secretagogue receptor 0.0045 0.0861 0.0263
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0045 0.0861 0.0263
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0861 0.0263
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Echinococcus granulosus sterol regulatory element binding protein 0.0051 0.1182 0.035
Brugia malayi hypothetical protein 0.0045 0.0861 0.1696
Schistosoma mansoni amine GPCR 0.0045 0.0861 0.0263
Onchocerca volvulus 0.0045 0.0861 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2644 0.5207
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0045 0.0861 0.0263
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2644 0.5207
Brugia malayi sulfakinin receptor protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696
Loa Loa (eye worm) hypothetical protein 0.0045 0.0861 0.1696

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) 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) 44.6684 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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