Detailed information for compound 1879260

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 378.446 | Formula: C17H22N4O4S
  • H donors: 2 H acceptors: 4 LogP: 2.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(S(=O)(=O)c1ccc(nc1)N/N=C/c1cc(OC)ccc1O)CC
  • InChi: 1S/C17H22N4O4S/c1-4-21(5-2)26(23,24)15-7-9-17(18-12-15)20-19-11-13-10-14(25-3)6-8-16(13)22/h6-12,22H,4-5H2,1-3H3,(H,18,20)/b19-11+
  • InChiKey: TTWZJDNIQROKQZ-YBFXNURJSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens isocitrate dehydrogenase 1 (NADP+), soluble Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 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
Schistosoma mansoni 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 Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 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
Loa Loa (eye worm) isocitrate dehydrogenase 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
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 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 japonicum ko:K00031 isocitrate dehydrogenase [EC1.1.1.42], putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans C terminus of cytosolic NADP-specific isocitrate dehydrogenase. Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii isocitrate dehydrogenase, NADP-dependent, 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
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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 atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Theileria parva isocitrate dehydrogenase (NADP+), putative Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania braziliensis isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis isocitrate dehydrogenase 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
Babesia bovis isocitrate dehydrogenase, NADP-dependent family protein 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 hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Toxoplasma gondii isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
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
Trypanosoma cruzi isocitrate dehydrogenase, putative 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
Toxoplasma gondii 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
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Candida albicans cytosolic NADP-specific 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
Trypanosoma congolense isocitrate dehydrogenase, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma congolense isocitrate dehydrogenase, 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Neospora caninum Isocitrate dehydrogenase-like protein, related Get druggable targets OG5_127057 All targets in OG5_127057
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Neospora caninum hypothetical protein Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Candida albicans Mitochondrial NADP-specific isocitrate dehydrogenase Get druggable targets OG5_127057 All targets in OG5_127057
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative Get druggable targets OG5_127057 All targets in OG5_127057
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Brugia malayi hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Trypanosoma brucei gambiense 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
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi isocitrate dehydrogenase [NADP], mitochondrial, putative Get druggable targets OG5_127057 All targets in OG5_127057
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
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 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0733 0.7457 0.7456
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.002
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0017 0.0022
Schistosoma mansoni survival motor neuron protein 0.0058 0.0492 0.0561
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0017 0.0015
Onchocerca volvulus 0.0535 0.5413 1
Loa Loa (eye worm) hypothetical protein 0.0302 0.3005 0.4029
Schistosoma mansoni lamin 0.0033 0.0227 0.0248
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0021 0.0107 0.0105
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0492 0.066
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0512 0.0687
Loa Loa (eye worm) hypothetical protein 0.0148 0.1418 0.19
Loa Loa (eye worm) hypothetical protein 0.0019 0.0086 0.0114
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0017 0.0015
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0087 0.0101
Echinococcus granulosus cpg binding protein 0.0037 0.0269 0.0315
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0205 0.2459
Onchocerca volvulus 0.0035 0.0249 0.043
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0087 0.0115
Echinococcus multilocularis cpg binding protein 0.0037 0.0269 0.0268
Brugia malayi jmjC domain containing protein 0.0071 0.0624 0.0837
Schistosoma mansoni hypothetical protein 0.0494 0.499 0.5867
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0032 0.0036
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0086 0.01
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0087 0.0101
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0087 0.0086
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0017 0.0022
Schistosoma mansoni patched 1 0.0302 0.3005 0.3526
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0227 0.0304
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0086 0.01
Schistosoma mansoni hypothetical protein 0.0014 0.0032 0.0018
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0017 0.0018
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.002
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0088 0.0086
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0017 0.0015
Echinococcus multilocularis protein dispatched 1 0.0302 0.3005 0.3004
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0624 0.0716
Brugia malayi Isocitrate dehydrogenase 0.0019 0.0088 0.0117
Schistosoma mansoni cpg binding protein 0.0037 0.0269 0.0298
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0086 0.0082
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0017 0.002
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0733 0.7457 1
Echinococcus multilocularis lamin 0.0033 0.0227 0.0225
Echinococcus granulosus lysine specific demethylase 5A 0.0073 0.0644 0.0757
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.002
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0086 0.0082
Onchocerca volvulus Huntingtin homolog 0.0148 0.1418 0.2597
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0017 0.002
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0086 0.0114
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0733 0.7457 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0053 0.0069
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.0088 0.0002
Echinococcus multilocularis GPCR, family 2 0.0019 0.0087 0.0086
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.002
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0017 0.0022
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0624 0.0733
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0088 0.003
Brugia malayi jmjC domain containing protein 0.0019 0.0086 0.0116
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0017 0.0018
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0017 0.0022
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.499 0.4989
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0205 1
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0733 0.7457 1
Loa Loa (eye worm) hypothetical protein 0.0535 0.5413 0.7258
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0227 0.0302
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.2839 0.3341
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0086 0.01
Schistosoma mansoni lozenge 0.0067 0.0583 0.0668
Echinococcus granulosus lamin 0.0033 0.0227 0.0265
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0017 0.0022
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0017 0.0022
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.0088 0.003
Brugia malayi jmjC domain containing protein 0.0019 0.0086 0.0116
Loa Loa (eye worm) hypothetical protein 0.0019 0.0086 0.0114
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0017 0.0022
Brugia malayi nuclear receptor NHR-88 0.0012 0.0017 0.0022
Brugia malayi intermediate filament protein 0.0033 0.0227 0.0304
Schistosoma mansoni hypothetical protein 0.0019 0.0087 0.0083
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8494 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0644 0.0862
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0086 0.0082
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.002
Schistosoma mansoni lamin 0.0033 0.0227 0.0248
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0053 0.0061
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8494 1
Brugia malayi jmjC domain containing protein 0.0019 0.0086 0.0116
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0017 0.0018
Leishmania major hypothetical protein, conserved 0.003 0.0205 0.0161
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0017 0.002
Loa Loa (eye worm) hypothetical protein 0.0019 0.0087 0.0115
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0017 0.0022
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0344 0.344 1
Echinococcus granulosus GPCR family 2 0.0019 0.0087 0.0101
Onchocerca volvulus 0.0033 0.0227 0.039
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0032 0.003
Echinococcus multilocularis Protein lozenge 0.0067 0.0583 0.0582
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8494 0.8494
Brugia malayi hypothetical protein 0.003 0.0205 0.0275
Onchocerca volvulus 0.0033 0.0227 0.039
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0017 0.0018
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0344 0.344 0.5
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0053 0.0051
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0088 0.0002
Echinococcus granulosus intermediate filament protein 0.0033 0.0227 0.0265
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0017 0.0018
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0733 0.7457 0.8779
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0017 0.0018
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0205 0.0161
Brugia malayi isocitrate dehydrogenase 0.0019 0.0088 0.0117
Schistosoma mansoni hypothetical protein 0.0205 0.2003 0.2343
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0017 0.0015
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0302 0.3005 0.3526
Echinococcus multilocularis protein patched 0.0302 0.3005 0.3004
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0624 0.0623
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0017 0.002
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0086 0.0085
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0017 0.002
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.0088 0.0002
Brugia malayi steroid hormone receptor 0.0012 0.0017 0.0022
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0017 0.0018
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0017 0.0018
Brugia malayi hypothetical protein 0.0148 0.1418 0.1902
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0017 0.0022
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0512 0.0687
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0086 0.0082
Onchocerca volvulus Huntingtin homolog 0.0148 0.1418 0.2597
Loa Loa (eye worm) hypothetical protein 0.0032 0.0221 0.0294
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0087 0.0086
Schistosoma mansoni hypothetical protein 0.0019 0.0087 0.0083
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0302 0.3005 0.4029
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0086 0.0082
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0017 0.0018
Loa Loa (eye worm) hypothetical protein 0.0733 0.7457 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0087 0.0117
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0017 0.002
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0512 0.0685
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0624 0.0623
Brugia malayi hypothetical protein 0.0286 0.2839 0.3807
Onchocerca volvulus 0.0058 0.0492 0.0881
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0017 0.0015
Schistosoma mansoni hypothetical protein 0.0041 0.0315 0.0353
Echinococcus granulosus Niemann Pick C1 protein 0.0302 0.3005 0.3537
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0071 0.0095
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0344 0.344 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0086 0.0114
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0733 0.7457 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0315 0.0423
Loa Loa (eye worm) hypothetical protein 0.0041 0.0315 0.0421
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0088 0.0086
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0017 0.0015
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0017 0.0022
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0733 0.7457 1
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0087 0.0117
Echinococcus granulosus phd:f box containing protein 0.0019 0.0086 0.01
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0017 0.0015
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.002
Brugia malayi hypothetical protein 0.0535 0.5413 0.7259
Brugia malayi hypothetical protein 0.002 0.0094 0.0125
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.065 0.0747
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0088 0.0101
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0017 0.0022
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.002
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0086 0.0114
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0205 0.0161
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0344 0.344 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0017 0.002
Loa Loa (eye worm) hypothetical protein 0.0015 0.0047 0.0061
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0644 0.074
Echinococcus multilocularis lamin dm0 0.0033 0.0227 0.0225
Loa Loa (eye worm) runx1 0.0067 0.0583 0.0781
Echinococcus multilocularis geminin 0.0205 0.2003 0.2002
Loa Loa (eye worm) hypothetical protein 0.0012 0.0017 0.002
Schistosoma mansoni hypothetical protein 0.0019 0.0087 0.0083
Loa Loa (eye worm) hypothetical protein 0.0148 0.1418 0.19
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0249 0.0332
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.0088 0.0121
Echinococcus granulosus lamin dm0 0.0033 0.0227 0.0265
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.0088 0.0121
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0205 0.0161
Brugia malayi CHE-14 protein 0.0302 0.3005 0.4031
Schistosoma mansoni cpg binding protein 0.0035 0.0249 0.0274
Loa Loa (eye worm) hypothetical protein 0.006 0.0512 0.0685
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0088 0.0084
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0017 0.0015
Schistosoma mansoni hypothetical protein 0.0019 0.0087 0.0083
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.2839 0.2838
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0088 0.0002
Echinococcus granulosus geminin 0.0205 0.2003 0.2357
Schistosoma mansoni intermediate filament proteins 0.0033 0.0227 0.0248
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0017 0.0022
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0017 0.0022
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0017 0.002
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0227 0.0302
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0088 0.0086
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0021 0.0107 0.0124
Schistosoma mansoni hypothetical protein 0.0205 0.2003 0.2343
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0086 0.0085
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0205 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0.0088 0.5
Echinococcus multilocularis musashi 0.0033 0.0227 0.0225
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0017 0.0022
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0733 0.7457 0.8777
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.0088 0.0116
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0017 0.0022
Brugia malayi ecdysteroid receptor 0.0012 0.0017 0.0022
Echinococcus granulosus Protein patched homolog 1 0.0302 0.3005 0.3537
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0569 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0205 1
Echinococcus granulosus sterol regulatory element binding protein 0.0302 0.3005 0.3537
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0086 0.0085
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0086 0.0085
Schistosoma mansoni hypothetical protein 0.0058 0.0492 0.0561
Brugia malayi nuclear hormone receptor 0.0012 0.0017 0.0022
Echinococcus multilocularis sterol regulatory element binding protein 0.0302 0.3005 0.3004
Brugia malayi jmjC domain containing protein 0.0073 0.0644 0.0864
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0733 0.7457 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0227 0.0302
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0088 0.0086
Loa Loa (eye worm) hypothetical protein 0.0286 0.2839 0.3806
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0017 0.0015
Loa Loa (eye worm) hypothetical protein 0.0535 0.5413 0.7258
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.0088 0.0002
Echinococcus multilocularis Niemann Pick C1 protein 0.0302 0.3005 0.3004
Loa Loa (eye worm) hypothetical protein 0.0019 0.0086 0.0114
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0088 0.0086
Echinococcus granulosus dnaJ subfamily B 0.0494 0.499 0.5874
Loa Loa (eye worm) hypothetical protein 0.003 0.0205 0.0273
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0071 0.0093
Brugia malayi jmjC domain containing protein 0.0019 0.0086 0.0116
Brugia malayi CXXC zinc finger family protein 0.0035 0.0249 0.0334
Schistosoma mansoni jumonji/arid domain-containing protein 0.0073 0.0644 0.074
Loa Loa (eye worm) hypothetical protein 0.0015 0.0047 0.0061
Schistosoma mansoni cpg binding protein 0.0037 0.0269 0.0298

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.8913 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) 2.5929 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) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.9811 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 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) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 5.6234 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) 8.1995 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) 8.2753 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: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.9953 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 14.581 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 (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 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. 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) 63.0957 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

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

No literature references available for this target.

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