Detailed information for compound 1310211

Basic information

Technical information
  • TDR Targets ID: 1310211
  • Name: 5-[[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]h ydrazinylidene]-2-sulfanylidene-1,3-diazinane -4,6-dione
  • MW: 429.473 | Formula: C18H15N5O4S2
  • H donors: 3 H acceptors: 4 LogP: 2.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C1NC(=O)C(=NNc2ccc(cc2)S(=O)(=O)N2CCc3c2cccc3)C(=O)N1
  • InChi: 1S/C18H15N5O4S2/c24-16-15(17(25)20-18(28)19-16)22-21-12-5-7-13(8-6-12)29(26,27)23-10-9-11-3-1-2-4-14(11)23/h1-8,21H,9-10H2,(H2,19,20,24,25,28)
  • InChiKey: DYMRQWPYFCBFCH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5-[(4-indolin-1-ylsulfonylphenyl)hydrazono]-2-thioxo-hexahydropyrimidine-4,6-dione
  • 5-[[4-(1-indolinylsulfonyl)phenyl]hydrazono]-2-thioxohexahydropyrimidine-4,6-dione
  • 5-[(4-indolin-1-ylsulfonylphenyl)hydrazono]-2-thioxo-hexahydropyrimidine-4,6-quinone
  • MLS000680019
  • SMR000324636
  • ARONIS007633
  • ALD-N008646

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens potassium voltage-gated channel, subfamily H (eag-related), member 2 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog Get druggable targets OG5_128858 All targets in OG5_128858
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Schistosoma japonicum Potassium voltage-gated channel subfamily H member 2, putative Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
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
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus multilocularis potassium voltage gated channel subfamily H Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
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
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni voltage-gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trichomonas vaginalis voltage and ligand gated potassium channel, putative Get druggable targets OG5_128858 All targets in OG5_128858
Mycobacterium leprae 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) voltage and ligand gated potassium channel Get druggable targets OG5_128858 All targets in OG5_128858
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Schistosoma japonicum ko:K04910 potassium voltage-gated channel, Eag-related subfamily H, member 7, putative Get druggable targets OG5_128858 All targets in OG5_128858
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Plasmodium knowlesi cytoskeleton associated protein, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 170 aa 23.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
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 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 153 aa 24.2 %
Entamoeba histolytica nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 20.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis dna polymerase eta 0.0023 0.0181 0.0172
Onchocerca volvulus 0.0035 0.0305 0.2027
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0181 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0039 0.0046
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0081 0.0096
Echinococcus granulosus GPCR family 2 0.0016 0.0116 0.0126
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0376 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.003 0.0553
Brugia malayi RNA binding protein 0.0065 0.0621 0.3415
Brugia malayi hypothetical protein 0.0043 0.0395 0.2153
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0478 0.2615
Trichomonas vaginalis helicase, putative 0.0008 0.003 0.0553
Echinococcus granulosus tar DNA binding protein 0.0065 0.0621 0.072
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.003 0.0553
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0006 0.0009 0.0011
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0702 1
Loa Loa (eye worm) hypothetical protein 0.0013 0.0081 0.0402
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0006 0.0009 0.0011
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.031 0.1681
Loa Loa (eye worm) hypothetical protein 0.0007 0.0021 0.0066
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0021 0.0685
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0116 0.0597
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0021 0.017
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0621 0.073
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0039 0.0035
Schistosoma mansoni hypothetical protein 0.0016 0.0116 0.0137
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0021 0.0685
Brugia malayi Muscleblind-like protein 0.018 0.18 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.003 0.0553
Leishmania major DNA damage repair protein, putative 0.0007 0.0021 0.017
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0181 0.0495
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0021 0.0034
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0181 1
Schistosoma mansoni hypothetical protein 0.0374 0.3788 0.4455
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.003 0.0553
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0181 1
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0039 0.0046
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0702 0.1991
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.003 0.0553
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0621 0.3415
Leishmania major DNA polymerase eta, putative 0.0023 0.0181 0.2486
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0109 0.5808
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.3486 1
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0037 0.0033
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0042 0.0376 1
Schistosoma mansoni hypothetical protein 0.0016 0.0116 0.0137
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0478 0.2615
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0021 0.0685
Echinococcus multilocularis cpg binding protein 0.0037 0.0325 0.0316
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0181 1
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0116 0.0597
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0037 0.0033
Entamoeba histolytica hypothetical protein 0.0043 0.0395 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0109 0.5808
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0116 0.0107
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0039 0.0046
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0037 0.0044
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0702 0.1991
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0009 0.0039 0.003
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.003 0.0553
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0009 0.0039 0.0035
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0081 0.0096
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0478 0.2615
Schistosoma mansoni hypothetical protein 0.0006 0.0009 0.0011
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.1878
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0006 0.0009 0.0011
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0039 0.0035
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.0181 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0116 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.003 0.0553
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0021 0.0034
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0045 0.0406 0.2215
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0039 0.0035
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.003 0.0553
Schistosoma mansoni hypothetical protein 0.0035 0.031 0.0365
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0181 0.4693
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0006 0.0009 0.0011
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.3486 1
Trypanosoma brucei unspecified product 0.0023 0.0181 1
Echinococcus granulosus dna polymerase eta 0.0023 0.0181 0.0203
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.3486 1
Onchocerca volvulus Huntingtin homolog 0.0148 0.1467 1
Echinococcus granulosus dna polymerase kappa 0.0023 0.0181 0.0203
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0702 0.1991
Leishmania major DNA polymerase kappa, putative 0.0023 0.0181 0.2486
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0021 0.0685
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0009 0.0039 0.003
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0181 0.4693
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0621 0.3415
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.003 0.0553
Leishmania major DNA polymerase eta, putative 0.0007 0.0021 0.017
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.3486 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0009 0.0039 0.082
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0305 0.165
Brugia malayi CXXC zinc finger family protein 0.0035 0.0305 0.165
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0021 0.0685
Loa Loa (eye worm) hypothetical protein 0.0052 0.0478 0.2615
Schistosoma mansoni cpg binding protein 0.0037 0.0325 0.0382
Loa Loa (eye worm) hypothetical protein 0.0148 0.1467 0.8141
Schistosoma mansoni hypothetical protein 0.0016 0.0116 0.0137
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0039 0.0046
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0081 0.0072
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0181 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0702 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0116 0.0126
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0116 0.0107
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.3486 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.0181 1
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0006 0.0009 0.0011
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0081 0.0072
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0009 0.0039 0.003
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.003 0.0553
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0006 0.0009 0.0011
Loa Loa (eye worm) hypothetical protein 0.018 0.18 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0039 0.0168
Trypanosoma brucei unspecified product 0.0016 0.0109 0.5808
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.003 0.0553
Schistosoma mansoni hypothetical protein 0.0374 0.3788 0.4455
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0704 0.0828
Schistosoma mansoni serine/threonine protein kinase 0.0006 0.0009 0.0011
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0621 0.3415
Schistosoma mansoni cpg binding protein 0.0035 0.0305 0.0359
Loa Loa (eye worm) hypothetical protein 0.0016 0.0116 0.0597
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0059 0.0278
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0181 0.0495
Echinococcus multilocularis muscleblind protein 0.018 0.18 0.1793
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0181 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0037 0.0028
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0181 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0009 0.0039 0.082
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0021 0.0025
Schistosoma mansoni 60S ribosomal protein L21 0.0007 0.0021 0.0025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.003 0.0553
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0006 0.0009 0.0011
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.0181 0.0172
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.003 0.0553
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.003 0.0553
Schistosoma mansoni serine/threonine protein kinase 0.0006 0.0009 0.0011
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0621 0.073
Mycobacterium ulcerans hypothetical protein 0.0007 0.0021 0.0034
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0039 0.0168
Loa Loa (eye worm) hypothetical protein 0.0009 0.0039 0.0168
Onchocerca volvulus Huntingtin homolog 0.0148 0.1467 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.003 0.0553
Treponema pallidum hypothetical protein 0.0345 0.3486 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0021 0.0685
Brugia malayi Cyclic-nucleotide gated cation channel 0.0009 0.0039 0.0168
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0116 0.0597
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0181 0.0495
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0006 0.0009 0.0011
Echinococcus multilocularis geminin 0.0374 0.3788 0.3782
Giardia lamblia DINP protein human, muc B family 0.0023 0.0181 1
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0006 0.0009 0.0011
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0021 0.0685
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0181 0.0961
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0081 0.0402
Echinococcus granulosus geminin 0.0374 0.3788 0.4449
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.8502 0.8501
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0037 0.0028
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5019 0.5898
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0045 0.0406 0.2215
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0021 0.0685
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.8502 1
Brugia malayi hypothetical protein 0.0148 0.1467 0.8141
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0702 0.1991
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0181 0.0495
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0621 0.0612
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0045 0.0406 0.0467
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0059 0.005
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0702 0.0825
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0039 0.0035
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.0181 0.0213
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0039 0.0046
Loa Loa (eye worm) hypothetical protein 0.0023 0.0181 0.0961
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0021 0.0685
Entamoeba histolytica hypothetical protein 0.0043 0.0395 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0702 0.0815
Schistosoma mansoni hypothetical protein 0.0494 0.5019 0.5903
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0621 0.073
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.0181 0.0961
Echinococcus multilocularis dna polymerase kappa 0.0023 0.0181 0.0172
Echinococcus granulosus cpg binding protein 0.0037 0.0325 0.0372
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.003 0.0553
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0009 0.0039 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0621 0.073
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0039 0.003
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0702 0.0825
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.0181 0.2486
Loa Loa (eye worm) hypothetical protein 0.0035 0.031 0.1681
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0021 0.017
Leishmania major DNA polymerase kappa, putative 0.0007 0.0021 0.017
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0702 0.0693
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.0181 0.0203
Schistosoma mansoni DNA polymerase eta 0.0023 0.0181 0.0213
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.003 0.0553
Brugia malayi polk-prov protein 0.0007 0.0021 0.0066
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0006 0.0009 0.0011
Schistosoma mansoni hypothetical protein 0.0016 0.0116 0.0137
Schistosoma mansoni cpg binding protein 0.0037 0.0325 0.0382
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0021 0.0685
Entamoeba histolytica hypothetical protein 0.0043 0.0395 1
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0006 0.0009 0.0011
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0006 0.0009 0.0011
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0181 1
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0058 0.027
Entamoeba histolytica hypothetical protein 0.0043 0.0395 1
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0045 0.0406 0.0397
Giardia lamblia DNA damage repair protein 0.0007 0.0021 0.0685
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0448 0.0527
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.0181 0.0213
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0395 0.0464
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0081 0.0085
Schistosoma mansoni serine/threonine protein kinase 0.0006 0.0009 0.0011
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0039 0.003
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0109 0.5808
Trypanosoma brucei unspecified product 0.0016 0.0109 0.5808
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.0181 0.0961
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0006 0.0009 0.5
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5019 0.5014
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0021 0.0685
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0623 0.887
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0395 0.0386
Brugia malayi TAR-binding protein 0.0065 0.0621 0.3415
Echinococcus granulosus muscleblind protein 0.018 0.18 0.2109
Echinococcus multilocularis muscleblind protein 1 0.018 0.18 0.1793
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0116 0.0126
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0021 0.0025
Schistosoma mansoni voltage-gated potassium channel 0.0049 0.0448 0.0527
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0059 0.0059
Echinococcus granulosus microtubule associated protein 2 0.0833 0.8502 1
Loa Loa (eye worm) hypothetical protein 0.0148 0.1467 0.8141
Loa Loa (eye worm) RNA binding protein 0.0065 0.0621 0.3415
Schistosoma mansoni hypothetical protein 0.0043 0.0395 0.0464
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0621 0.073
Schistosoma mansoni voltage-gated potassium channel 0.0009 0.0039 0.0046
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0081 0.0085
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0021 0.0685
Loa Loa (eye worm) hypothetical protein 0.018 0.18 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0021 0.017
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0395 0.0454

Activities

Activity type Activity value Assay description Source Reference
EC50 (ADMET) = 0.62 um PUBCHEM_BIOASSAY: Confirmation Dose Response screen for compounds that protect hERG from block by proarrhythmic agents. (Class of assay: confirmatory) [Related pubchem assays: 1511 (Primary HTS assay for 305616 compounds.)] ChEMBL. No reference
EC50 (functional) > 91.151 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay to identify activators of the function of SWI/SNF related, matrix associated, actin dependent regulator of chromatin, subfamily a, member 2 (SMARCA2, BRM). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 8.57 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) 62.4 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
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 (binding) = 5.0119 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) = 6.3096 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) 8.9125 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.1962 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 (binding) 10 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (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 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) 11.6891 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) = 14.1254 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) 15.1014 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Secondary FLuc Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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
Potency (functional) 251.1886 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) 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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