Detailed information for compound 1293861

Basic information

Technical information
  • TDR Targets ID: 1293861
  • Name: 3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)pi perazin-1-yl]-2-oxoethyl]-1-methyl-1,3-diazas piro[4.5]decane-2,4-dione
  • MW: 488.6 | Formula: C24H32N4O5S
  • H donors: 0 H acceptors: 5 LogP: 1.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCC2)CN1C(=O)N(C2(C1=O)CCCCC2)C
  • InChi: 1S/C24H32N4O5S/c1-25-23(31)28(22(30)24(25)10-3-2-4-11-24)17-21(29)26-12-14-27(15-13-26)34(32,33)20-9-8-18-6-5-7-19(18)16-20/h8-9,16H,2-7,10-15,17H2,1H3
  • InChiKey: WHYFALXZXKZOCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-oxo-ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
  • 3-[2-[4-(5-indanylsulfonyl)-1-piperazinyl]-2-oxoethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
  • 3-[2-(4-indan-5-ylsulfonylpiperazin-1-yl)-2-keto-ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-quinone
  • 3-[2-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-oxo-ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
  • T5601505

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 SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni intermediate filament proteins 0.0056 0.0182 0.0612
Schistosoma mansoni paired box protein pax-6 0.0024 0.0052 0.0172
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0115 0.043 0.5623
Brugia malayi Latrophilin receptor protein 2 0.0229 0.0899 0.1156
Mycobacterium tuberculosis Probable lipase LipE 0.0115 0.0429 0.1402
Echinococcus granulosus mothers against decapentaplegic 5 0.0129 0.0485 0.1641
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0056 0.0729
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0017 0.0023 0.0043
Schistosoma mansoni hypothetical protein 0.0229 0.0899 0.304
Giardia lamblia GTOR 0.0021 0.004 0.5
Loa Loa (eye worm) beta-lactamase 0.0115 0.0429 0.0551
Loa Loa (eye worm) CXXC zinc finger family protein 0.0034 0.0092 0.0117
Loa Loa (eye worm) hypothetical protein 0.0026 0.0059 0.0075
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0014 0.001 0.0013
Brugia malayi Pre-SET motif family protein 0.0037 0.0104 0.0134
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0107 0.0359
Loa Loa (eye worm) hypothetical protein 0.0037 0.0104 0.0133
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.0182 0.0234
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0115 0.0429 0.1402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Loa Loa (eye worm) inositol-1 0.0037 0.0107 0.0136
Brugia malayi Pax transcription factor protein 2 0.1266 0.5193 0.6673
Loa Loa (eye worm) RNA binding protein 0.0127 0.0477 0.0612
Brugia malayi hypothetical protein 0.0152 0.058 0.0745
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0737 0.3002 1
Brugia malayi Smad1 0.0129 0.0485 0.0624
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0014 0.001 0.0031
Plasmodium vivax SET domain protein, putative 0.0037 0.0104 0.1126
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0047 0.0781
Echinococcus granulosus neuropeptide s receptor 0.0472 0.1908 0.6458
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Loa Loa (eye worm) hypothetical protein 0.0056 0.0182 0.0233
Echinococcus granulosus tumor protein p63 0.0697 0.2837 0.9603
Brugia malayi Pre-SET motif family protein 0.0252 0.0996 0.1279
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0059
Brugia malayi MH2 domain containing protein 0.0129 0.0485 0.0624
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0115 0.0429 0.0551
Echinococcus granulosus serine protein kinase ATM 0.0029 0.0073 0.0244
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0107 0.1411
Brugia malayi paired box protein 0.0024 0.0052 0.0067
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0073 0.0626
Onchocerca volvulus 0.0102 0.0374 0.0636
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0021 0.004 0.013
Plasmodium vivax ataxin-2 like protein, putative 0.0192 0.0746 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0104 0.0104
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Echinococcus multilocularis paired box protein pax 6 0.0024 0.0052 0.0052
Schistosoma mansoni inositol monophosphatase 0.0037 0.0107 0.0356
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0229 0.0899 0.3042
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0029 0.0073 0.0241
Loa Loa (eye worm) hypothetical protein 0.0192 0.0746 0.0958
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0181 0.0607
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0017 0.0023 0.5
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0021 0.004 0.0442
Mycobacterium ulcerans hypothetical protein 0.0115 0.0429 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0477 0.1611
Loa Loa (eye worm) hypothetical protein 0.0027 0.0063 0.008
Trichomonas vaginalis set domain proteins, putative 0.0287 0.1139 1
Brugia malayi beta-lactamase family protein 0.0115 0.0429 0.0552
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0129 0.0485 0.1639
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0014 0.001 0.0012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Loa Loa (eye worm) hypothetical protein 0.0494 0.1999 0.2568
Loa Loa (eye worm) hypothetical protein 0.0024 0.0052 0.0066
Brugia malayi MH1 domain containing protein 0.0071 0.0247 0.0317
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.0485 0.0623
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0021 0.004 0.0039
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0023 0.0047 0.0123
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Echinococcus multilocularis microtubule associated protein 2 0.0725 0.2954 0.2954
Echinococcus granulosus mothers against decapentaplegic 2 0.0058 0.019 0.0642
Loa Loa (eye worm) hypothetical protein 0.0115 0.0429 0.0551
Schistosoma mansoni smad 0.0129 0.0485 0.1639
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0723 0.2946 0.3786
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0021 0.004 0.0663
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0012 0.0001 0.0003
Schistosoma mansoni paired box protein pax-6 0.0024 0.0052 0.0172
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0181 0.0231
Schistosoma mansoni cpg binding protein 0.0034 0.0092 0.0305
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0229 0.0899 0.3042
Echinococcus granulosus cpg binding protein 0.0036 0.01 0.0335
Trichomonas vaginalis D-aminoacylase, putative 0.0115 0.0429 0.376
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0021 0.004 0.0442
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0012 0.0001 0.0001
Onchocerca volvulus 0.0115 0.0429 0.0743
Brugia malayi RNA recognition motif domain containing protein 0.0127 0.0477 0.0613
Loa Loa (eye worm) hypothetical protein 0.0102 0.0374 0.048
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0028
Entamoeba histolytica hypothetical protein 0.0152 0.058 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0028
Brugia malayi RNA binding protein 0.0127 0.0477 0.0613
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0104 0.0348
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0029 0.0073 0.0093
Loa Loa (eye worm) nuclear factor I 0.0071 0.0247 0.0317
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0027 0.0063 0.0211
Echinococcus multilocularis Smad4 0.0129 0.0485 0.0485
Entamoeba histolytica hypothetical protein 0.0152 0.058 1
Echinococcus multilocularis cpg binding protein 0.0036 0.01 0.0099
Loa Loa (eye worm) Smad1 0.0129 0.0485 0.0623
Loa Loa (eye worm) hypothetical protein 0.0115 0.0429 0.0551
Echinococcus multilocularis neuropeptide receptor A26 0.0472 0.1908 0.1908
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0021 0.004 0.0663
Loa Loa (eye worm) hypothetical protein 0.0055 0.0178 0.0228
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.004 0.0515
Trypanosoma cruzi hypothetical protein, conserved 0.0115 0.0429 0.5745
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0019 0.003
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0021 0.004 0.0133
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0014 0.001 0.0013
Echinococcus granulosus geminin 0.053 0.2148 0.7271
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0047 0.0878
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0107 0.0923
Loa Loa (eye worm) hypothetical protein 0.0024 0.0052 0.0066
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0115 0.0429 0.1402
Echinococcus granulosus intermediate filament protein 0.0056 0.0182 0.0615
Echinococcus multilocularis isocitrate dehydrogenase 0.0115 0.043 0.0429
Brugia malayi mothers against decapentaplegic homolog 3 0.0058 0.019 0.0245
Schistosoma mansoni paired box protein pax-1-related 0.0024 0.0052 0.0172
Echinococcus multilocularis smad 0.0129 0.0485 0.0485
Trichomonas vaginalis D-aminoacylase, putative 0.0115 0.0429 0.376
Loa Loa (eye worm) MH1 domain-containing protein 0.0058 0.019 0.0244
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0181 0.018
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0021 0.004 0.0407
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0027 0.0063 0.0062
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0029 0.0073 0.0956
Loa Loa (eye worm) hypothetical protein 0.0239 0.0942 0.121
Brugia malayi vab-3 gene. 0.0024 0.0052 0.0067
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0047 0.006
Toxoplasma gondii LsmAD domain-containing protein 0.0192 0.0746 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.001 0.0012
Echinococcus granulosus paired box protein pax 6 0.0024 0.0052 0.0175
Onchocerca volvulus 0.0115 0.0429 0.0743
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0047 0.006
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0012 0.0001 0.0002
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.0154 0.0198
Loa Loa (eye worm) transcription factor SMAD2 0.1891 0.7782 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.009 0.1918
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0104 0.1313
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0115 0.0429 0.1449
Onchocerca volvulus 0.0037 0.0104 0.0112
Brugia malayi paired box pox-meso protein 0.0024 0.0052 0.0067
Trichomonas vaginalis penicillin-binding protein, putative 0.0115 0.0429 0.376
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0107 0.0923
Schistosoma mansoni cellular tumor antigen P53 0.0102 0.0374 0.1262
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0007 0.005
Echinococcus multilocularis tar DNA binding protein 0.0127 0.0477 0.0477
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0047 0.0878
Brugia malayi latrophilin 2 splice variant baaae 0.0494 0.1999 0.2568
Echinococcus multilocularis serine protein kinase ATM 0.0029 0.0073 0.0072
Schistosoma mansoni Smad4 0.0129 0.0485 0.1639
Mycobacterium tuberculosis Conserved protein 0.0115 0.0429 0.1402
Brugia malayi Probable isocitrate dehydrogenase 0.0014 0.001 0.0013
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0107 0.1313
Schistosoma mansoni smad 0.0058 0.019 0.0639
Leishmania major hypothetical protein, conserved 0.0192 0.0746 1
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0014 0.001 0.0074
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Echinococcus multilocularis paired box protein pax 1 0.0024 0.0052 0.0052
Echinococcus granulosus neuropeptide receptor A26 0.0472 0.1908 0.6458
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0059
Brugia malayi hypothetical protein 0.0124 0.0465 0.0597
Onchocerca volvulus 0.0024 0.0052 0.0011
Schistosoma mansoni lamin 0.0056 0.0182 0.0612
Brugia malayi MH1 domain containing protein 0.0071 0.0247 0.0317
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0229 0.0899 0.0899
Brugia malayi beta-lactamase family protein 0.0115 0.0429 0.0552
Brugia malayi 'Paired box' domain containing protein 0.0024 0.0052 0.0067
Schistosoma mansoni isocitrate dehydrogenase 0.0014 0.001 0.0028
Schistosoma mansoni lamin 0.0056 0.0182 0.0612
Plasmodium falciparum ataxin-2 like protein, putative 0.0192 0.0746 1
Mycobacterium ulcerans esterase/lipase LipP 0.0115 0.0429 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Schistosoma mansoni hypothetical protein 0.0049 0.0154 0.0516
Echinococcus granulosus paired box gene 3/7 (eyeless, eyegone, twin of eyeless) 0.0024 0.0052 0.0175
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0047 0.05
Brugia malayi CXXC zinc finger family protein 0.0034 0.0092 0.0118
Schistosoma mansoni inositol monophosphatase 0.0037 0.0107 0.0356
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0229 0.0899 0.1156
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0152 0.058 0.058
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.004 0.0517
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.0996 0.1279
Entamoeba histolytica hypothetical protein 0.0152 0.058 1
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0477 0.1611
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0021 0.004 0.0133
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0019 0.003
Schistosoma mansoni smad1 5 8 and 0.0129 0.0485 0.1639
Brugia malayi MH2 domain containing protein 0.0129 0.0485 0.0624
Onchocerca volvulus 0.0034 0.0092 0.0087
Leishmania major phosphatidylinositol kinase related protein, putative 0.0021 0.004 0.0409
Loa Loa (eye worm) hypothetical protein 0.0025 0.0056 0.0071
Loa Loa (eye worm) hypothetical protein 0.0058 0.019 0.0244
Schistosoma mansoni hypothetical protein 0.053 0.2148 0.727
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0086 0.0308 0.1041
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0129 0.0485 0.0485
Mycobacterium tuberculosis Probable hydrolase 0.0115 0.0429 0.1402
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0047 0.05
Loa Loa (eye worm) vab-3 0.0024 0.0052 0.0066
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0104 0.0104
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.004 0.005
Loa Loa (eye worm) hypothetical protein 0.0013 0.0007 0.0008
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0021 0.004 0.0515
Brugia malayi 'Paired box' domain containing protein 0.0024 0.0052 0.0067
Schistosoma mansoni hypothetical protein 0.0086 0.0308 0.1038
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Trypanosoma brucei PAB1-binding protein , putative 0.0192 0.0746 1
Onchocerca volvulus 0.0024 0.0052 0.0011
Echinococcus granulosus survival motor neuron protein 1 0.0239 0.0942 0.3188
Loa Loa (eye worm) MH1 domain-containing protein 0.0129 0.0485 0.0623
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0115 0.0429 1
Onchocerca volvulus 0.0115 0.0429 0.0743
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.004 0.0051
Echinococcus granulosus paired box protein pax 1 0.0024 0.0052 0.0175
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0115 0.043 0.1452
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Echinococcus granulosus beta LACTamase domain containing family member 0.0115 0.0429 0.1451
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0181 0.0607
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0021 0.004 0.013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Schistosoma mansoni hypothetical protein 0.0229 0.0899 0.304
Brugia malayi Calcitonin receptor-like protein seb-1 0.0723 0.2946 0.3786
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0107 1
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0107 0.1345
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Leishmania major 4-coumarate:coa ligase-like protein 0.0023 0.0047 0.05
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0107 0.1345
Loa Loa (eye worm) hypothetical protein 0.0024 0.0052 0.0066
Echinococcus granulosus smad 0.0129 0.0485 0.1641
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0181 0.0607
Echinococcus granulosus lamin 0.0056 0.0182 0.0615
Loa Loa (eye worm) hypothetical protein 0.0071 0.0247 0.0317
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0014 0.001 0.0013
Schistosoma mansoni hypothetical protein 0.0229 0.0899 0.304
Mycobacterium ulcerans beta-lactamase 0.0115 0.0429 1
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0107 0.0106
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0115 0.043 0.5748
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0021 0.004 0.0442
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0115 0.043 0.5623
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0023 0.0047 0.0878
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0115 0.043 0.145
Brugia malayi MH1 domain containing protein 0.0129 0.0485 0.0624
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0181 0.0232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0181 0.018
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0047 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Echinococcus multilocularis dnaJ subfamily B 0.0481 0.1942 0.1941
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0104 0.0348
Brugia malayi Inositol-1 0.0037 0.0107 0.0137
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0229 0.0899 0.0899
Trypanosoma cruzi hypothetical protein, conserved 0.0115 0.0429 0.5745
Loa Loa (eye worm) hypothetical protein 0.0229 0.0899 0.1155
Echinococcus multilocularis neuropeptide s receptor 0.0472 0.1908 0.1908
Mycobacterium ulcerans lipase LipD 0.0115 0.0429 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0152 0.058 0.1962
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0115 0.043 0.5716
Trichomonas vaginalis penicillin-binding protein, putative 0.0115 0.0429 0.376
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0104 0.0348
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0021 0.004 0.0039
Trypanosoma brucei hypothetical protein, conserved 0.0115 0.0429 0.5712
Loa Loa (eye worm) hypothetical protein 0.0115 0.0429 0.0551
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Schistosoma mansoni Smad4 0.0058 0.019 0.0639
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0115 0.043 0.1402
Brugia malayi MH1 domain containing protein 0.0129 0.0485 0.0624
Echinococcus multilocularis geminin 0.053 0.2148 0.2148
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0477 0.1611
Loa Loa (eye worm) hypothetical protein 0.0115 0.0429 0.0551
Entamoeba histolytica hypothetical protein 0.0152 0.058 1
Toxoplasma gondii FATC domain-containing protein 0.0029 0.0073 0.0887
Loa Loa (eye worm) MH2 domain-containing protein 0.0058 0.019 0.0244
Echinococcus granulosus GPCR family 2 0.0229 0.0899 0.3042
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0021 0.004 0.0051
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0021 0.004 0.0407
Mycobacterium tuberculosis Probable esterase LipL 0.0115 0.0429 0.1402
Brugia malayi AMP-binding enzyme family protein 0.0023 0.0047 0.006
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Schistosoma mansoni transcription factor LCR-F1 0.0152 0.058 0.196
Schistosoma mansoni paired box protein pax-6 0.0024 0.0052 0.0172
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0115 0.043 0.5748
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0115 0.043 0.0429
Schistosoma mansoni Smad4 0.0058 0.019 0.0639
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0723 0.2946 0.3785
Brugia malayi hypothetical protein 0.0239 0.0942 0.1211
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0014 0.001 0.0031
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0115 0.043 0.57
Brugia malayi Gooseberry protein 0.0024 0.0052 0.0067
Echinococcus multilocularis survival motor neuron protein 1 0.0239 0.0942 0.0942
Echinococcus multilocularis paired box protein pax 6 0.0024 0.0052 0.0052
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0073 0.0254 0.0854
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0115 0.0429 0.0552
Echinococcus granulosus mothers against decapentaplegic 6 0.0058 0.019 0.0642
Schistosoma mansoni survival motor neuron protein 0.0049 0.0154 0.0516
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Onchocerca volvulus 0.1266 0.5193 1
Mycobacterium leprae conserved hypothetical protein 0.0115 0.0429 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0129 0.0485 0.1641
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0023 0.0047 0.0878
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0104 0.0348
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0075 0.0096
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0028
Schistosoma mansoni cpg binding protein 0.0036 0.01 0.0332
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Loa Loa (eye worm) hypothetical protein 0.0017 0.0023 0.0028
Entamoeba histolytica hypothetical protein 0.0029 0.0073 0.1231
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0115 0.0429 0.1402
Echinococcus multilocularis mothers against decapentaplegic 2 0.0058 0.019 0.019
Toxoplasma gondii target of rapamycin (TOR), putative 0.0021 0.004 0.0442
Trypanosoma cruzi target of rapamycin kinase 3 0.0021 0.004 0.0515
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0021 0.004 0.0442
Loa Loa (eye worm) hypothetical protein 0.0024 0.0052 0.0066
Mycobacterium ulcerans acyl-CoA synthetase 0.0023 0.0047 0.0878
Brugia malayi hypothetical protein 0.0192 0.0746 0.0959
Echinococcus granulosus dnaJ subfamily B 0.0481 0.1942 0.6572
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0019 0.003
Leishmania major hypothetical protein, conserved 0.0115 0.0429 0.5696
Echinococcus granulosus tar DNA binding protein 0.0127 0.0477 0.1614
Echinococcus granulosus Smad4 0.0129 0.0485 0.1641
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0115 0.043 0.5716
Schistosoma mansoni hypothetical protein 0.0229 0.0899 0.304
Echinococcus multilocularis GPCR, family 2 0.0229 0.0899 0.0899
Entamoeba histolytica acyl-CoA synthetase, putative 0.0023 0.0047 0.0781
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0023 0.0047 0.0878
Toxoplasma gondii ABC1 family protein 0.0115 0.0429 0.5712
Echinococcus multilocularis paired box protein pax 6 0.0024 0.0052 0.0052
Plasmodium falciparum ataxin-2 like protein, putative 0.0192 0.0746 1
Schistosoma mansoni unc-13 (munc13) 0.0014 0.001 0.0028
Trypanosoma cruzi PAB1-binding protein , putative 0.0192 0.0746 1
Mycobacterium ulcerans hypothetical protein 0.0023 0.0047 0.0878
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0115 0.043 0.0429
Schistosoma mansoni cpg binding protein 0.0036 0.01 0.0332
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0023 0.0047 0.0878
Echinococcus multilocularis tumor protein p63 0.0697 0.2837 0.2837
Schistosoma mansoni microtubule-associated protein tau 0.0725 0.2954 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0013 0.0007 0.005
Echinococcus multilocularis mothers against decapentaplegic 5 0.0129 0.0485 0.0485
Loa Loa (eye worm) TAR-binding protein 0.0127 0.0477 0.0612
Echinococcus multilocularis mothers against decapentaplegic 6 0.0058 0.019 0.019
Loa Loa (eye worm) MH2 domain-containing protein 0.1891 0.7782 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0115 0.0429 0.1449
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0115 0.043 0.0429
Brugia malayi isocitrate dehydrogenase 0.0115 0.043 0.0552
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Brugia malayi TAR-binding protein 0.0127 0.0477 0.0613
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0127 0.0477 0.0612
Mycobacterium tuberculosis Conserved protein 0.0115 0.0429 0.1402
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.0182 0.0233
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0181 0.0609
Mycobacterium tuberculosis Conserved protein 0.0115 0.0429 0.1402
Onchocerca volvulus 0.0056 0.0182 0.0263
Loa Loa (eye worm) isocitrate dehydrogenase 0.0115 0.043 0.0551
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.009 0.0269
Schistosoma mansoni hypothetical protein 0.0494 0.1999 0.6764
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0021 0.004 0.0407
Loa Loa (eye worm) hypothetical protein 0.0012 0.0001 0.0001
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0477 0.1611
Schistosoma mansoni smad1 5 8 and 0.0129 0.0485 0.1639
Brugia malayi MH2 domain containing protein 0.1891 0.7782 1
Schistosoma mansoni hypothetical protein 0.0481 0.1942 0.6571
Echinococcus multilocularis lamin 0.0056 0.0182 0.0182
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0014 0.001 0.0028
Loa Loa (eye worm) hypothetical protein 0.0723 0.2946 0.3785
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0021 0.004 0.0515
Echinococcus granulosus lamin dm0 0.0056 0.0182 0.0615
Onchocerca volvulus 0.0056 0.0182 0.0263
Loa Loa (eye worm) intermediate filament protein 0.0056 0.0182 0.0233
Loa Loa (eye worm) phosphatidylinositol 3 0.0021 0.004 0.005
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0115 0.043 0.0429
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Toxoplasma gondii histone lysine methyltransferase SET1 0.0065 0.0222 0.2908
Schistosoma mansoni hypothetical protein 0.0152 0.058 0.196
Echinococcus multilocularis lamin dm0 0.0056 0.0182 0.0182
Schistosoma mansoni hypothetical protein 0.053 0.2148 0.727
Loa Loa (eye worm) hypothetical protein 0.0023 0.0047 0.0059
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0021 0.004 0.0407
Loa Loa (eye worm) paired box protein 0.0024 0.0052 0.0066
Echinococcus granulosus microtubule associated protein 2 0.0725 0.2954 1
Entamoeba histolytica tartrate dehydrogenase, putative 0.0014 0.001 0.0145
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0181 0.0609
Brugia malayi Probable isocitrate dehydrogenase 0.0014 0.001 0.0013
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0107 0.1816
Brugia malayi intermediate filament protein 0.0056 0.0182 0.0234
Mycobacterium leprae Probable lipase LipE 0.0115 0.0429 1
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0058 0.019 0.0279
Echinococcus multilocularis beta LACTamase domain containing family member 0.0115 0.0429 0.0429
Toxoplasma gondii isocitrate dehydrogenase 0.0115 0.043 0.5716
Leishmania major phosphatidylinositol 3-kinase, putative 0.0021 0.004 0.0407
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0021 0.004 0.0515
Mycobacterium tuberculosis Probable lipase LipD 0.0115 0.0429 0.1402
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0014 0.001 0.0009
Trichomonas vaginalis D-aminoacylase, putative 0.0115 0.0429 0.376
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0023 0.0047 0.0878
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0107 0.0923
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Trichomonas vaginalis esterase, putative 0.0115 0.0429 0.376
Trypanosoma cruzi PAB1-binding protein , putative 0.0192 0.0746 1
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0029 0.0073 0.0887
Onchocerca volvulus Retinal homeobox protein Rx homolog 0.0024 0.0052 0.0011
Loa Loa (eye worm) hypothetical protein 0.0115 0.0429 0.0551
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0021 0.004 0.0442
Loa Loa (eye worm) hypothetical protein 0.0026 0.0059 0.0075
Brugia malayi MH2 domain containing protein 0.0058 0.019 0.0245
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0014 0.001 0.0009
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0107 0.1411
Schistosoma mansoni tar DNA-binding protein 0.0127 0.0477 0.1611
Onchocerca volvulus 0.0287 0.1139 0.2123
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0017 0.0023 0.0306
Loa Loa (eye worm) hypothetical protein 0.0115 0.0429 0.0551
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0104 0.0351
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Trichomonas vaginalis PIKK family atypical protein kinase 0.0021 0.004 0.0337
Brugia malayi Isocitrate dehydrogenase 0.0115 0.043 0.0552
Echinococcus granulosus paired box protein pax 6 0.0024 0.0052 0.0175
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0086 0.0308 0.0308
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0019 0.003
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0096 0.0322
Loa Loa (eye worm) latrophilin receptor protein 2 0.0229 0.0899 0.1155
Brugia malayi cytoplasmic intermediate filament protein 0.003 0.0075 0.0097
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0023 0.0047 0.0123
Onchocerca volvulus 0.0049 0.0154 0.0208
Entamoeba histolytica acyl-coA synthetase, putative 0.0023 0.0047 0.0781
Schistosoma mansoni smad1 5 8 and 0.0129 0.0485 0.1639
Brugia malayi 'Paired box' domain containing protein 0.0024 0.0052 0.0067
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0037 0.0107 0.2304
Brugia malayi beta-lactamase 0.0115 0.0429 0.0552
Plasmodium vivax hypothetical protein, conserved 0.0115 0.0429 0.562
Echinococcus multilocularis musashi 0.0056 0.0182 0.0182
Toxoplasma gondii isocitrate dehydrogenase 0.0115 0.043 0.5716
Loa Loa (eye worm) pax transcription factor protein 2 0.1266 0.5193 0.6673

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 10.3183 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) 18.526 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

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.
 
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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