Detailed information for compound 1878617

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 524.635 | Formula: C24H20N4O4S3
  • H donors: 1 H acceptors: 4 LogP: 3.64 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: COCCn1/c(=N/C(=O)c2cc(nc3c2cccc3)c2cccs2)/sc2c1ccc(c2)S(=O)(=O)N
  • InChi: 1S/C24H20N4O4S3/c1-32-11-10-28-20-9-8-15(35(25,30)31)13-22(20)34-24(28)27-23(29)17-14-19(21-7-4-12-33-21)26-18-6-3-2-5-16(17)18/h2-9,12-14H,10-11H2,1H3,(H2,25,30,31)/b27-24-
  • InChiKey: CZYSUKRIVSHGPN-PNHLSOANSA-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 microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble 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 Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
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 japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
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
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
Leishmania mexicana isocitrate dehydrogenase [NADP], mitochondrial precursor, 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
Leishmania donovani isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Trypanosoma brucei gambiense 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
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus NADP dependent 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
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei gambiense isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium berghei isocitrate dehydrogenase [NADP], mitochondrial, 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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma congolense isocitrate dehydrogenase, 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
Leishmania infantum 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
Trypanosoma brucei 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
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Candida albicans cytosolic NADP-specific 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
Candida albicans C terminus of cytosolic 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
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Neospora caninum hypothetical protein 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
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 153 aa 24.2 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 20.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Entamoeba histolytica nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Plasmodium knowlesi cytoskeleton associated protein, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 170 aa 23.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0066 0.0078
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0066 0.0823
Brugia malayi hypothetical protein 0.0014 0.0082 0.1022
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0088
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0088
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0051 0.0051
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0082 0.5
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0006 0.0007 0.0007
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0137 0.17
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0016 0.0103 0.0121
Loa Loa (eye worm) hypothetical protein 0.0014 0.0082 0.1022
Echinococcus granulosus geminin 0.0205 0.2043 0.2403
Entamoeba histolytica hypothetical protein 0.0014 0.0082 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0082 0.1022
Echinococcus granulosus Chromobox protein 3 0.0014 0.0082 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0066 0.0823
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0082 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0163 0.1805
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0066 0.0078
Brugia malayi nuclear hormone receptor 0.0012 0.0066 0.0823
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0066 0.0078
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0066 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0066 0.0823
Schistosoma mansoni chromobox protein 0.0084 0.0805 0.0947
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0016 0.0103 0.0121
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0051 0.0634
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.3481 1
Echinococcus multilocularis chromobox protein 2 0.0014 0.0082 0.0082
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0066 0.0078
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0066 0.0823
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0066 0.0823
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.3481 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0066 0.0823
Loa Loa (eye worm) hypothetical protein 0.0047 0.0425 0.5283
Brugia malayi chromobox protein homolog 3 0.0047 0.0425 0.5283
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0775
Brugia malayi steroid hormone receptor 0.0012 0.0066 0.0823
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0137 0.0137
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0066 0.0823
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0137 0.0137
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0066 0.0078
Trichomonas vaginalis hypothetical protein 0.0014 0.0082 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0284 0.3348
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0015 0.009 0.0106
Brugia malayi CHD4 protein 0.0016 0.0103 0.1275
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0775
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0022 0.0163 0.1805
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0066 0.0823
Echinococcus granulosus cpg binding protein 0.0037 0.0317 0.0373
Brugia malayi M-phase phosphoprotein, mpp8 0.0014 0.0082 0.1022
Echinococcus multilocularis chromobox protein 1 0.0084 0.0805 0.0805
Onchocerca volvulus 0.0014 0.0082 0.1781
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.3481 0.5
Loa Loa (eye worm) hypothetical protein 0.0014 0.0082 0.1022
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0029 0.0035
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0051 0.006
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0066 0.1433
Echinococcus granulosus Chromo domain 0.0014 0.0082 0.0097
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0137 0.5
Echinococcus multilocularis geminin 0.0205 0.2043 0.2043
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0805 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0066 0.0066
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0066 0.0066
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.3481 1
Echinococcus multilocularis Chromobox protein 3 0.0014 0.0082 0.0082
Trichomonas vaginalis Heterochromatin protein, putative 0.0014 0.0082 0.0775
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5015 0.5015
Brugia malayi Associated with TFs and helicases family protein 0.0014 0.0082 0.1022
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0066 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0066 0.0823
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.3481 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0066 0.0823
Brugia malayi nuclear receptor RXR 0.0006 0.0007 0.0088
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0137 0.17
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0066 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0425 0.5153
Echinococcus granulosus chromobox protein 1 0.0084 0.0805 0.0947
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0066 0.0823
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0137 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0775
Brugia malayi hypothetical protein 0.0006 0.0007 0.0088
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0006 0.0007 0.0008
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0066 0.0078
Treponema pallidum hypothetical protein 0.0345 0.3481 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0823
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0137 0.5
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0014 0.0082 0.0082
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0775
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.005 0.0617
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0066 0.0823
Brugia malayi ecdysteroid receptor 0.0012 0.0066 0.0823
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0462 0.5622
Loa Loa (eye worm) hypothetical protein 0.0014 0.0082 0.1022
Trichomonas vaginalis conserved hypothetical protein 0.0018 0.0126 0.1328
Schistosoma mansoni hypothetical protein 0.0494 0.5015 0.5899
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0066 0.0078
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0163 0.1805
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0006 0.0007 0.0008
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0082 0.0097
Onchocerca volvulus 0.0035 0.0297 0.643
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0066 0.0078
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0805 1
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0066 0.0823
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0137 0.0137
Loa Loa (eye worm) helicase 0.0014 0.0082 0.1022
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0137 0.5
Onchocerca volvulus 0.0012 0.0066 0.1433
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0014 0.0082 0.0775
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0066 0.0823
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0823
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0823
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0163 0.1805
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0284 0.3348
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0137 0.5
Loa Loa (eye worm) CHromoDomain protein family member 0.0016 0.0103 0.1275
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0082 0.0775
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0137 0.5
Schistosoma mansoni cpg binding protein 0.0035 0.0297 0.035
Schistosoma mansoni chromobox protein 0.0014 0.0082 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0066 0.0823
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0137 0.1022
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0775
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0014 0.0082 0.0097
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0066 0.0823
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0066 0.0823
Brugia malayi isocitrate dehydrogenase 0.0019 0.0137 0.17
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0823
Echinococcus multilocularis Chromo domain 0.0014 0.0082 0.0082
Schistosoma mansoni cpg binding protein 0.0037 0.0317 0.0373
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0066 0.0078
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0163 0.1805
Loa Loa (eye worm) hypothetical protein 0.0037 0.0321 0.3983
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0697 0.0819
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0137 0.0161
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0014 0.0082 0.1022
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0066 0.0823
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0462 0.5622
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0066 0.0823
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0029 0.0035
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0029 0.0029
Brugia malayi Valyl-tRNA synthetase 0.0014 0.0082 0.1022
Schistosoma mansoni chromobox protein 0.0014 0.0082 0.0097
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0017 0.012 0.1253
Brugia malayi hypothetical protein 0.0006 0.0007 0.0088
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0082 0.0775
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0425 0.5153
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0137 0.016
Loa Loa (eye worm) hypothetical protein 0.0014 0.0082 0.1022
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0462 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0137 0.0161
Schistosoma mansoni hypothetical protein 0.0205 0.2043 0.2403
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0775
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0425 0.9204
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0163 0.1805
Onchocerca volvulus 0.0014 0.0082 0.1781
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0082 0.0097
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0029 0.0035
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0066 0.0078
Echinococcus multilocularis cpg binding protein 0.0037 0.0317 0.0317
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0775
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0137 0.0137
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0823
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0066 0.0078
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0088
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0066 0.0078
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0805 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0163 0.1805
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0007 0.0088
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0082 0.0775
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0006 0.0007 0.0008
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0088
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0066 0.0078
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0823
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0066 0.0066
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0066 0.0823
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0082 0.0775
Brugia malayi nuclear receptor NHR-88 0.0012 0.0066 0.0823
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5015 0.5899
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0066 0.1433
Schistosoma mansoni hypothetical protein 0.0014 0.0082 0.0097
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8501 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0066 0.1433
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0066 0.0823
Loa Loa (eye worm) hypothetical protein 0.0014 0.0082 0.1022
Brugia malayi Heterochromatin protein 1 0.0084 0.0805 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0066 0.0078
Brugia malayi Protein cec-1. 0.0014 0.0082 0.1022
Onchocerca volvulus 0.0037 0.0321 0.6939
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0082 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0066 0.0823
Entamoeba histolytica hypothetical protein 0.0014 0.0082 0.5
Echinococcus granulosus chromobox protein 1 0.0084 0.0805 0.0947
Brugia malayi CXXC zinc finger family protein 0.0035 0.0297 0.369
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0823
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0014 0.0082 0.0097
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0066 0.0078
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0029 0.0029
Schistosoma mansoni hypothetical protein 0.0205 0.2043 0.2403
Schistosoma mansoni coup transcription factor 0.0012 0.0066 0.0078
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8501 0.8501
Echinococcus multilocularis chromobox protein 1 0.0084 0.0805 0.0805
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0066 0.0066
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0066 0.0078
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8501 1
Onchocerca volvulus 0.0015 0.009 0.195
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0126 0.1328
Loa Loa (eye worm) hypothetical protein 0.0006 0.0007 0.0088
Brugia malayi Nuclear hormone receptor-like 1 0.0006 0.0007 0.0088
Brugia malayi SET domain containing protein 0.0015 0.009 0.1119
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0006 0.0007 0.0088
Loa Loa (eye worm) hypothetical protein 0.0014 0.0082 0.1022
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0022 0.0163 0.1805
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0016 0.0103 0.0103
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0066 0.0823
Loa Loa (eye worm) hypothetical protein 0.0012 0.0066 0.0823
Schistosoma mansoni cpg binding protein 0.0037 0.0317 0.0373
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0066 0.0066
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0616 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0066 0.0066
Entamoeba histolytica hypothetical protein 0.0014 0.0082 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0066 0.0078
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0137 0.1022
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0066 0.0078
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0297 0.369
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0082 0.0775
Echinococcus granulosus chromobox protein 2 0.0014 0.0082 0.0097
Schistosoma mansoni chromobox protein 0.0084 0.0805 0.0947
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0066 0.0066
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0066 0.0078
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0066 0.0823
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0066 0.0066
Trichomonas vaginalis chromobox protein, putative 0.0014 0.0082 0.0775

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 12.4 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 23.8 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 94.115 uM PubChem BioAssay. Counterscreen for inhibitors of T-cell receptor (TCR)-CD3 interaction: Fluorescence-based biochemical high throughput dose response assay to identify inhibitors of T-cell receptor (TCR)-CD3 interaction using a TAMRA-labeled BSA probe. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 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
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 9.2 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) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.3225 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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