Detailed information for compound 408339

Basic information

Technical information
  • TDR Targets ID: 408339
  • Name: (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[( 2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2- [[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]ami no]-4-methylpentanoyl]amino]acetyl]amino]-3-( 1H-indol-3-yl)propanoyl]amino]-4-methylpentan oyl]amino]-3-phenylpropanoyl]amino]hexanoyl]a mino]-3-methylbutanoyl]amino]propanoyl]amino] -3-hydroxypropanoyl]amino]hexanoic acid
  • MW: 1295.57 | Formula: C66H98N14O13
  • H donors: 16 H acceptors: 13 LogP: 1.05 Rotable bonds: 51
    Rule of 5 violations (Lipinski): 4
  • SMILES: NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCCN)CO)C)C(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)N)CC(C)C)CC(C)C
  • InChi: 1S/C66H98N14O13/c1-38(2)30-50(76-58(84)46(69)32-42-20-10-8-11-21-42)59(85)71-36-55(82)73-53(34-44-35-70-47-25-15-14-24-45(44)47)63(89)77-51(31-39(3)4)61(87)78-52(33-43-22-12-9-13-23-43)62(88)74-48(26-16-18-28-67)60(86)80-56(40(5)6)65(91)72-41(7)57(83)79-54(37-81)64(90)75-49(66(92)93)27-17-19-29-68/h8-15,20-25,35,38-41,46,48-54,56,70,81H,16-19,26-34,36-37,67-69H2,1-7H3,(H,71,85)(H,72,91)(H,73,82)(H,74,88)(H,75,90)(H,76,84)(H,77,89)(H,78,87)(H,79,83)(H,80,86)(H,92,93)/t41-,46-,48-,49-,50-,51-,52-,53-,54-,56-/m0/s1
  • InChiKey: GDPOQBKTEFETDS-TWEJCITDSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid
  • (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-1-oxo-3-phenylpropyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-1-oxopropyl]amino]-3-hydroxy-1-oxopropyl]amino]hexanoic acid
  • (2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-azanyl-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid
  • (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethanoylamino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]propanoyl]amino]-3-hydroxy-propanoyl]amino]hexanoic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0008 0.0014 0.0118
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0046 0.016 1
Trichomonas vaginalis ferritin, putative 0.0014 0.0038 0.6187
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1023 0.392 1
Schistosoma mansoni wnt related 0.0014 0.0039 0.0334
Brugia malayi intermediate filament protein 0.0048 0.0171 0.0171
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0014 0.0103
Schistosoma mansoni cpg binding protein 0.0023 0.0072 0.062
Schistosoma mansoni smad 0.0006 0.0008 0.0069
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1023 0.392 1
Schistosoma mansoni wnt related 0.0014 0.0039 0.0334
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0008 0.0014 0.0014
Echinococcus granulosus transcription factor eb 0.0081 0.0297 0.2212
Schistosoma mansoni lamin 0.0048 0.0171 0.1463
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0046 0.0161 0.1377
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0008 0.0014 0.0103
Loa Loa (eye worm) hypothetical protein 0.0008 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0023 0.0075 0.0075
Schistosoma mansoni ferritin 0.0014 0.0038 0.0323
Echinococcus granulosus Protein Wnt-04 0.0014 0.0039 0.0291
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0008 0.0014 0.0103
Schistosoma mansoni wnt related 0.0014 0.0039 0.0334
Schistosoma mansoni ferritin light chain 0.0014 0.0038 0.0323
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0003 0.0357
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0008 0.0014 0.0103
Schistosoma mansoni wnt related 0.0014 0.0039 0.0334
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0008 0.0014 0.0118
Schistosoma mansoni apoferritin-2 0.0014 0.0038 0.0323
Schistosoma mansoni smad1 5 8 and 0.0006 0.0008 0.0069
Echinococcus multilocularis transcription factor eb 0.0081 0.0297 0.2212
Echinococcus granulosus Smad4 0.0006 0.0008 0.006
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0006 0.0008 0.006
Echinococcus granulosus lamin 0.0048 0.0171 0.1274
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0086 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0005 0.0003 0.0357
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.001 0.0076
Echinococcus multilocularis protein Wnt 1 0.0014 0.0039 0.0291
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0014 0.0118
Loa Loa (eye worm) hypothetical protein 0.0008 0.0014 0.0014
Echinococcus multilocularis zinc finger transcription factor gli2 0.0323 0.1227 0.9143
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0005 0.0005 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0003 0.0357
Brugia malayi CXXC zinc finger family protein 0.0022 0.0068 0.0068
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0014 0.0014
Echinococcus granulosus protein Wnt 2 0.0014 0.0039 0.0291
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.006 0.0448
Loa Loa (eye worm) hypothetical protein 0.0014 0.0039 0.0039
Echinococcus granulosus Protein Wnt-111 0.0014 0.0039 0.0291
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0042 0.0147 0.0147
Schistosoma mansoni Smad4 0.0006 0.0008 0.0069
Brugia malayi Smad1 0.0006 0.0008 0.0008
Loa Loa (eye worm) hypothetical protein 0.0081 0.0295 0.0295
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0008 0.0014 0.0103
Echinococcus granulosus mixed lineage leukemia protein mll 0.0005 0.0005 0.0039
Loa Loa (eye worm) MH1 domain-containing protein 0.0006 0.0008 0.0008
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0042 0.0147 0.1094
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.2603 1 1
Schistosoma mansoni hypothetical protein 0.0042 0.0147 0.1256
Schistosoma mansoni retinoic acid receptor RXR 0.0008 0.0014 0.0118
Loa Loa (eye worm) wnt-4 protein 0.0014 0.0039 0.0039
Brugia malayi hypothetical protein 0.0026 0.0086 0.0086
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0003 0.0357
Schistosoma mansoni lamin 0.0048 0.0171 0.1463
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0008 0.0014 0.0103
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0005 0.0003 0.0357
Echinococcus multilocularis protein Wnt 2 0.0014 0.0039 0.0291
Schistosoma mansoni ap endonuclease 0.002 0.006 0.0515
Brugia malayi wnt family protein 0.0014 0.0039 0.0039
Onchocerca volvulus 0.0048 0.0171 0.9273
Brugia malayi wnt family protein 0.0014 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0008 0.0014 0.0014
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.001 0.0076
Loa Loa (eye worm) Wnt2 protein 0.0014 0.0039 0.0039
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0046 0.016 0.1194
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0008 0.0014 0.0103
Schistosoma mansoni ap endonuclease 0.002 0.006 0.0515
Echinococcus multilocularis lamin dm0 0.0048 0.0171 0.1274
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0014 0.0103
Brugia malayi hypothetical protein 0.0017 0.005 0.005
Trichomonas vaginalis ap endonuclease, putative 0.002 0.006 1
Echinococcus granulosus survival motor neuron protein 1 0.0178 0.0669 0.4984
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0046 0.016 0.026
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0003 0.0357
Brugia malayi Calcitonin receptor-like protein seb-1 0.0133 0.0497 0.0497
Mycobacterium leprae PROBABLE BACTERIOFERRITIN BFRA 0.0014 0.0038 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0003 0.0357
Echinococcus granulosus smad 0.0006 0.0008 0.006
Echinococcus granulosus Protein Wnt-11b 0.0014 0.0039 0.0291
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0023 0.0075 0.0555
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0008 0.0014 0.0014
Brugia malayi ecdysteroid receptor 0.0008 0.0014 0.0014
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0008 0.0014 0.0103
Echinococcus granulosus GPCR family 2 0.0042 0.0147 0.1094
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0183 0.1569
Brugia malayi MH2 domain containing protein 0.0006 0.0008 0.0008
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0008 0.0014 0.0118
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0008 0.0014 0.0103
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0003 0.0357
Brugia malayi Wnt-2 protein precursor 0.0014 0.0039 0.0039
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.003 0.0223
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.006 0.183
Echinococcus multilocularis ecdysone induced protein 78C 0.0008 0.0014 0.0103
Loa Loa (eye worm) hypothetical protein 0.0008 0.0014 0.0014
Echinococcus multilocularis ferritin 0.0014 0.0038 0.0281
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0086 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0048 0.0171 0.0171
Schistosoma mansoni nuclear hormone receptor 0.0008 0.0014 0.0118
Onchocerca volvulus 0.0048 0.0171 0.9273
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.0005 0.0044
Loa Loa (eye worm) MH2 domain-containing protein 0.009 0.033 0.033
Toxoplasma gondii histone lysine methyltransferase SET1 0.0041 0.0142 0.8177
Echinococcus granulosus ferritin 0.0014 0.0038 0.0281
Echinococcus granulosus Protein Wnt-5 0.0014 0.0039 0.0291
Loa Loa (eye worm) CWN-2 protein 0.0014 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0008 0.0014 0.0014
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0008 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0026 0.0086 0.0086
Loa Loa (eye worm) histone methyltransferase 0.0007 0.001 0.001
Brugia malayi CCR4 0.0004 0.0001 0.0001
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0003 0.0357
Echinococcus multilocularis wingless type MMTV integration site family 0.0014 0.0039 0.0291
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0008 0.0014 0.0103
Loa Loa (eye worm) latrophilin receptor protein 2 0.0042 0.0147 0.0147
Brugia malayi cytoplasmic intermediate filament protein 0.0026 0.0084 0.0084
Loa Loa (eye worm) hypothetical protein 0.0014 0.0039 0.0039
Leishmania major hypothetical protein, conserved 0.0026 0.0086 0.0067
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0086 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.006 0.183
Echinococcus multilocularis musashi 0.0048 0.0171 0.1274
Loa Loa (eye worm) hypothetical protein 0.0048 0.0168 0.0168
Schistosoma mansoni ferritin 0.0014 0.0038 0.0323
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0005 0.0005 0.0039
Brugia malayi MH1 domain containing protein 0.0006 0.0008 0.0008
Brugia malayi hypothetical protein 0.0178 0.0669 0.0669
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0006 0.0008 0.0069
Loa Loa (eye worm) MH2 domain-containing protein 0.0006 0.0008 0.0008
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0081 0.0297 0.0297
Echinococcus granulosus ecdysone induced protein 78C 0.0008 0.0014 0.0103
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0014 0.0014
Schistosoma mansoni intermediate filament proteins 0.0048 0.0171 0.1463
Schistosoma mansoni hypothetical protein 0.0042 0.0147 0.1256
Echinococcus multilocularis cpg binding protein 0.0023 0.0072 0.0539
Schistosoma mansoni ferritin 0.0014 0.0038 0.0323
Echinococcus multilocularis smad 0.0006 0.0008 0.006
Onchocerca volvulus 0.0033 0.011 0.5676
Loa Loa (eye worm) hypothetical protein 0.0022 0.0071 0.0071
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.006 0.0023
Echinococcus multilocularis dnaJ subfamily B 0.0308 0.1168 0.8704
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0008 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0014 0.0039 0.0039
Echinococcus multilocularis mothers against decapentaplegic 5 0.0006 0.0008 0.006
Echinococcus multilocularis tumor protein p63 0.0353 0.1342 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.016 1
Schistosoma mansoni hypothetical protein 0.0042 0.0147 0.1256
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0042 0.0147 0.1094
Loa Loa (eye worm) hypothetical protein 0.2603 1 1
Onchocerca volvulus 0.0036 0.0124 0.6511
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0086 0.0067
Loa Loa (eye worm) hypothetical protein 0.0022 0.0071 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0003 0.0357
Brugia malayi Wnt-4 protein precursor 0.0014 0.0039 0.0039
Schistosoma mansoni ferritin light chain 0.0014 0.0038 0.0323
Brugia malayi MH2 domain containing protein 0.0006 0.0008 0.0008
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1023 0.392 1
Brugia malayi MH2 domain containing protein 0.009 0.033 0.033
Loa Loa (eye worm) hypothetical protein 0.0014 0.0039 0.0039
Brugia malayi steroid hormone receptor 0.0008 0.0014 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0003 0.0357
Echinococcus granulosus TGF beta signal transducer SmadC 0.0006 0.0008 0.006
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0008 0.0014 0.0103
Loa Loa (eye worm) transcription factor SMAD2 0.009 0.033 0.033
Echinococcus multilocularis lamin 0.0048 0.0171 0.1274
Brugia malayi Latrophilin receptor protein 2 0.0042 0.0147 0.0147
Schistosoma mansoni hypothetical protein 0.0308 0.1168 1
Echinococcus granulosus geminin 0.0177 0.0665 0.4957
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0008 0.0014 0.0014
Brugia malayi wnt family protein 0.0014 0.0039 0.0039
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0036 0.0124 0.0124
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0008 0.0014 0.0118
Onchocerca volvulus 0.0052 0.0183 1
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0004 0.0001 0.0001
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0008 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0091 0.0335 0.2868
Loa Loa (eye worm) zinc finger protein 0.0323 0.1227 0.1227
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0008 0.0014 0.0014
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0023 0.0075 0.0555
Schistosoma mansoni ferritin 0.0014 0.0038 0.0323
Schistosoma mansoni hypothetical protein 0.0177 0.0665 0.5695
Schistosoma mansoni aldehyde dehydrogenase 0.0046 0.016 0.1372
Loa Loa (eye worm) intermediate filament protein 0.0048 0.0171 0.0171
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0086 0.2567
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0133 0.0497 0.0497
Schistosoma mansoni smad1 5 8 and 0.0006 0.0008 0.0069
Echinococcus multilocularis wnt family member wnt11 2 0.0014 0.0039 0.0291
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0042 0.0147 0.0147
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0008 0.0014 0.0118
Echinococcus multilocularis FTZ F1 alpha 0.0008 0.0014 0.0103
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0003 0.0357
Schistosoma mansoni survival motor neuron protein 0.0036 0.0124 0.1063
Brugia malayi F/Y-rich N-terminus family protein 0.0007 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0091 0.0335 0.0335
Echinococcus granulosus lamin dm0 0.0048 0.0171 0.1274
Brugia malayi photoreceptor-specific nuclear receptor 0.0008 0.0014 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0003 0.0357
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.006 1
Brugia malayi MH1 domain containing protein 0.0006 0.0008 0.0008
Schistosoma mansoni smad1 5 8 and 0.0006 0.0008 0.0069
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0133 0.0497 0.0497
Toxoplasma gondii aldehyde dehydrogenase 0.0046 0.016 1
Echinococcus granulosus intermediate filament protein 0.0048 0.0171 0.1274
Brugia malayi Nuclear hormone receptor-like 1 0.0008 0.0014 0.0014
Echinococcus multilocularis expressed protein 0.0014 0.0038 0.0281
Brugia malayi Intermediate filament tail domain containing protein 0.0048 0.0171 0.0171
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.006 0.0448
Brugia malayi nuclear receptor NHR-88 0.0008 0.0014 0.0014
Echinococcus multilocularis GPCR, family 2 0.0042 0.0147 0.1094
Loa Loa (eye worm) Smad1 0.0006 0.0008 0.0008
Schistosoma mansoni thyroid hormone receptor 0.0008 0.0014 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0008 0.0014 0.0014
Schistosoma mansoni wnt-5 0.0014 0.0039 0.0334
Brugia malayi nuclear hormone receptor 0.0008 0.0014 0.0014
Echinococcus granulosus tumor protein p63 0.0353 0.1342 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0008 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0008 0.0014 0.0014
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0008 0.0014 0.0118
Loa Loa (eye worm) hypothetical protein 0.0133 0.0497 0.0497
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0042 0.0147 0.1094
Trichomonas vaginalis conserved hypothetical protein 0.0005 0.0003 0.0357
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0014 0.0014
Echinococcus multilocularis WNT 0.0014 0.0039 0.0291
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0046 0.016 0.1194
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0008 0.0014 0.0103
Schistosoma mansoni RAR-like nuclear receptor 0.0008 0.0014 0.0118
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.003 0.0223
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0081 0.0295 0.0295
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0008 0.0014 0.0014
Echinococcus granulosus expressed protein 0.0014 0.0038 0.0281
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.016 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0008 0.0014 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0008 0.0014 0.0014
Echinococcus granulosus dnaJ subfamily B 0.0308 0.1168 0.8704
Loa Loa (eye worm) hypothetical protein 0.0048 0.0171 0.0171
Leishmania major malonyl-coa decarboxylase-like protein 0.1023 0.392 1
Echinococcus granulosus FTZ F1 alpha 0.0008 0.0014 0.0103
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0003 0.0357
Loa Loa (eye worm) steroid hormone receptor 0.0008 0.0014 0.0014
Echinococcus granulosus zinc finger transcription factor gli2 0.0323 0.1227 0.9143
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0042 0.0147 0.1094
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0005 0.0005 0.0039
Schistosoma mansoni hypothetical protein 0.0036 0.0124 0.1063
Schistosoma mansoni apoferritin-2 0.0014 0.0038 0.0323
Mycobacterium ulcerans aldehyde dehydrogenase 0.0046 0.016 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.0183 0.0183
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.006 0.006
Schistosoma mansoni hypothetical protein 0.0012 0.003 0.0257
Schistosoma mansoni hypothetical protein 0.0177 0.0665 0.5695
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0003 0.0357
Trichomonas vaginalis ap endonuclease, putative 0.002 0.006 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.006 0.5
Schistosoma mansoni coup transcription factor 0.0008 0.0014 0.0118
Loa Loa (eye worm) CXXC zinc finger family protein 0.0022 0.0068 0.0068
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0008 0.0014 0.0014
Brugia malayi Steroid receptor seven-up type 2 0.0008 0.0014 0.0014
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0005 0.0003 0.0357
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0026 0.0084 0.0084
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0008 0.0014 0.0014
Echinococcus multilocularis WNT 0.0014 0.0039 0.0291
Schistosoma mansoni steroid hormone receptor ad4bp 0.0008 0.0014 0.0118
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0008 0.0014 0.0014
Schistosoma mansoni cpg binding protein 0.0022 0.0068 0.0579
Brugia malayi Zinc finger, C2H2 type family protein 0.0323 0.1227 0.1227
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0086 0.0067
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.006 0.5
Onchocerca volvulus 0.0022 0.0068 0.3179
Loa Loa (eye worm) hypothetical protein 0.0014 0.0039 0.0039
Trichomonas vaginalis helicase, putative 0.0005 0.0003 0.0357
Echinococcus granulosus cpg binding protein 0.0023 0.0072 0.0539
Loa Loa (eye worm) hypothetical protein 0.0008 0.0014 0.0014
Echinococcus multilocularis survival motor neuron protein 1 0.0178 0.0669 0.4984
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0008 0.0014 0.0014
Schistosoma mansoni cpg binding protein 0.0023 0.0072 0.062
Echinococcus multilocularis geminin 0.0177 0.0665 0.4957
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0086 0.0067
Schistosoma mansoni hypothetical protein 0.0042 0.0147 0.1256
Brugia malayi latrophilin 2 splice variant baaae 0.0091 0.0335 0.0335
Echinococcus multilocularis Smad4 0.0006 0.0008 0.006
Loa Loa (eye worm) hypothetical protein 0.0178 0.0669 0.0669
Echinococcus granulosus mothers against decapentaplegic 5 0.0006 0.0008 0.006
Echinococcus granulosus protein Wnt 1 0.0014 0.0039 0.0291
Brugia malayi wnt family protein 0.0014 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0008 0.0014 0.0014
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0008 0.0014 0.0014
Schistosoma mansoni aldehyde dehydrogenase 0.0046 0.016 0.1372
Echinococcus multilocularis thyroid hormone receptor alpha 0.0008 0.0014 0.0103

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 6.52 % Hemolytic activity against human red blood cells at 100 ug/ml ChEMBL. 16884301
Activity (functional) = 6.82 % Hemolytic activity against human red blood cells at 200 ug/ml ChEMBL. 16884301
Activity (functional) = 7.12 % Hemolytic activity against human red blood cells at 300 ug/ml ChEMBL. 16884301
Activity (functional) = 9.24 % Hemolytic activity against human red blood cells at 400 ug/ml ChEMBL. 16884301
IC50 (functional) = 23.5 uM Antitumor activity against human SK-MEL-2 cell line ChEMBL. 16884301
IC50 (functional) = 23.5 uM Antitumor activity against human HCT116 cell line ChEMBL. 16884301
IC50 (functional) = 23.5 uM Antitumor activity against human SK-MEL-2 cell line ChEMBL. 16884301
IC50 (functional) = 23.5 uM Antitumor activity against human HCT116 cell line ChEMBL. 16884301
IC50 (functional) = 56.5 uM Antitumor activity against human A498 cell line ChEMBL. 16884301
IC50 (functional) = 56.5 uM Antitumor activity against human A498 cell line ChEMBL. 16884301
IC50 (functional) = 58.6 uM Antitumor activity against human NCI-H630 cell line ChEMBL. 16884301
IC50 (functional) = 58.6 uM Antitumor activity against human NCI-H630 cell line ChEMBL. 16884301
IC50 (functional) = 59.6 uM Antitumor activity against human MCF7 cell line ChEMBL. 16884301
IC50 (functional) = 59.6 uM Antitumor activity against human MCF7 cell line ChEMBL. 16884301
IC50 (functional) = 63.8 uM Antitumor activity against human MKN45 cell line ChEMBL. 16884301
IC50 (functional) = 63.8 uM Antitumor activity against human MKN45 cell line ChEMBL. 16884301
IC50 (functional) = 71.1 uM Antitumor activity against human SKOV3 cell line ChEMBL. 16884301
IC50 (functional) = 71.1 uM Antitumor activity against human SKOV3 cell line ChEMBL. 16884301
IC50 (functional) = 82 uM Antitumor activity against human A549 cell line ChEMBL. 16884301
IC50 (functional) = 82 uM Antitumor activity against human A549 cell line ChEMBL. 16884301
IC50 (functional) = 95.5 uM Antitumor activity against human PC3 cell line ChEMBL. 16884301
IC50 (functional) = 95.5 uM Antitumor activity against human PC3 cell line ChEMBL. 16884301
IC50 (functional) = 240.5 uM Antitumor activity against human MCF10a cell line ChEMBL. 16884301
IC50 (functional) = 240.5 uM Antitumor activity against human MCF10a cell line ChEMBL. 16884301
IC90 (functional) 0 Antitumor activity against human MCF10a cell line ChEMBL. 16884301
IC90 (functional) = 46.77 uM Antitumor activity against human SK-MEL-2 cell line ChEMBL. 16884301
IC90 (functional) = 46.77 uM Antitumor activity against human SK-MEL-2 cell line ChEMBL. 16884301
IC90 (functional) = 56.23 uM Antitumor activity against human HCT116 cell line ChEMBL. 16884301
IC90 (functional) = 56.23 uM Antitumor activity against human HCT116 cell line ChEMBL. 16884301
IC90 (functional) = 81.28 uM Antitumor activity against human NCI-H630 cell line ChEMBL. 16884301
IC90 (functional) = 81.28 uM Antitumor activity against human NCI-H630 cell line ChEMBL. 16884301
IC90 (functional) = 83.18 uM Antitumor activity against human A498 cell line ChEMBL. 16884301
IC90 (functional) = 83.18 uM Antitumor activity against human A498 cell line ChEMBL. 16884301
IC90 (functional) = 85.11 uM Antitumor activity against human MKN45 cell line ChEMBL. 16884301
IC90 (functional) = 85.11 uM Antitumor activity against human MKN45 cell line ChEMBL. 16884301
IC90 (functional) = 89.13 uM Antitumor activity against human SKOV3 cell line ChEMBL. 16884301
IC90 (functional) = 89.13 uM Antitumor activity against human SKOV3 cell line ChEMBL. 16884301
IC90 (functional) = 102.33 uM Antitumor activity against human A549 cell line ChEMBL. 16884301
IC90 (functional) = 102.33 uM Antitumor activity against human A549 cell line ChEMBL. 16884301
IC90 (functional) = 109.65 uM Antitumor activity against human MCF7 cell line ChEMBL. 16884301
IC90 (functional) = 109.65 uM Antitumor activity against human MCF7 cell line ChEMBL. 16884301
IC90 (functional) = 112.2 uM Antitumor activity against human PC3 cell line ChEMBL. 16884301
IC90 (functional) = 112.2 uM Antitumor activity against human PC3 cell line ChEMBL. 16884301

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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