Detailed information for compound 410875

Basic information

Technical information
  • TDR Targets ID: 410875
  • Name: N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfany lbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[ 4-[[2-(4-fluorophenyl)phenyl]methyl]piperazin -1-yl]benzamide
  • MW: 796.972 | Formula: C42H45FN6O5S2
  • H donors: 2 H acceptors: 5 LogP: 8.51 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: CN(CC[C@@H](Nc1ccc(cc1[N+](=O)[O-])S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(CC1)Cc1ccccc1c1ccc(cc1)F)CSc1ccccc1)C
  • InChi: 1S/C42H45FN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1
  • InChiKey: KKBQYISZBOGNCU-PGUFJCEWSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[[(1R)-3-(dimethylamino)-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-4-[4-[[2-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]benzamide
  • N-[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl-4-[4-[[2-(4-fluorophenyl)phenyl]methyl]-1-piperazinyl]benzamide
  • N-[4-[[(2R)-4-(dimethylamino)-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[4-[[2-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]benzamide
  • N-[4-[[(1R)-3-(dimethylamino)-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-4-[4-[2-(4-fluorophenyl)benzyl]piperazino]benzamide
  • N-[4-[[(2R)-4-dimethylamino-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]sulfonyl-4-[4-[[2-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]benzamide
  • N-[4-[[(1R)-3-dimethylamino-1-(phenylsulfanylmethyl)propyl]amino]-3-nitro-phenyl]sulfonyl-4-[4-[[2-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]benzamide
  • N-[4-[[(1R)-3-dimethylamino-1-[(phenylthio)methyl]propyl]amino]-3-nitrophenyl]sulfonyl-4-[4-[[2-(4-fluorophenyl)phenyl]methyl]-1-piperazinyl]benzamide
  • N-[4-[[(1R)-3-dimethylamino-1-[(phenylthio)methyl]propyl]amino]-3-nitro-phenyl]sulfonyl-4-[4-[2-(4-fluorophenyl)benzyl]piperazin-1-yl]benzamide
  • N-[4-[[(2R)-4-dimethylamino-1-phenylsulfanyl-butan-2-yl]amino]-3-nitro-phenyl]sulfonyl-4-[4-[[2-(4-fluorophenyl)phenyl]methyl]piperazin-1-yl]benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens BCL2-like 1 Starlite/ChEMBL References
Homo sapiens B-cell CLL/lymphoma 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus EGFP:Bcl2 fusion protein Get druggable targets OG5_139665 All targets in OG5_139665
Echinococcus multilocularis EGFP:Bcl2 fusion protein Get druggable targets OG5_139665 All targets in OG5_139665
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
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0029 0.0098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0501 0.0754
Schistosoma mansoni hypothetical protein 0.0047 0.0459 0.0687
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0125 0.011
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.0111 0.0067
Schistosoma mansoni smad1 5 8 and 0.0017 0.01 0.0114
Schistosoma mansoni smad1 5 8 and 0.0017 0.01 0.0114
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.0054 0.0545 0.0544
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.0054 0.0545 0.0825
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0197 0.2526
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0501 0.0754
Schistosoma mansoni ap endonuclease 0.0019 0.0125 0.0154
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.0054 0.0545 0.0544
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0029 0.0098
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0029 0.0027
Mycobacterium tuberculosis Probable oxidoreductase 0.0131 0.1477 0.8269
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0029 0.0098
Plasmodium falciparum glutathione reductase 0.0052 0.0519 1
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0545 1
Brugia malayi glutathione reductase 0.0052 0.0519 0.1784
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.0111 0.0524
Loa Loa (eye worm) hypothetical protein 0.0011 0.0029 0.0028
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0111 0.0067
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0029 0.0028
Loa Loa (eye worm) hypothetical protein 0.0176 0.202 0.2041
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0088 0.0087
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0835 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0197 0.0323
Loa Loa (eye worm) leucyl aminopeptidase 0.0054 0.0545 0.055
Brugia malayi N-terminal motif family protein 0.0176 0.202 0.6947
Mycobacterium tuberculosis Probable dehydrogenase 0.0118 0.1318 0.7323
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0111 0.0067
Brugia malayi nuclear receptor NHR-88 0.0011 0.0029 0.0098
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.0111 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0029 0.0028
Schistosoma mansoni Fxna peptidase (M28 family) 0.0054 0.0545 0.0825
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0197 0.2526
Echinococcus multilocularis expressed protein 0.002 0.0133 0.0132
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0029 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0029 0.0098
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0501 0.0499
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0459 0.0458
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0125 0.011
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0111 0.0067
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0125 0.0431
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0029 0.0027
Brugia malayi Peptidase family M28 containing protein 0.0054 0.0545 0.1875
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0197 0.2368
Loa Loa (eye worm) hypothetical protein 0.0025 0.0197 0.0198
Loa Loa (eye worm) hypothetical protein 0.0101 0.1114 0.1124
Plasmodium falciparum thioredoxin reductase 0.0018 0.0111 0.0524
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0125 0.0124
Mycobacterium tuberculosis Conserved hypothetical protein 0.0155 0.1768 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0294 0.345 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0111 0.0067
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0459 0.1578
Echinococcus multilocularis dnaJ subfamily B 0.0405 0.4801 0.48
Brugia malayi MH2 domain containing protein 0.0017 0.01 0.0344
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.003 0.0029
Schistosoma mansoni hypothetical protein 0.0047 0.0459 0.0687
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0118 0.1318 0.7323
Loa Loa (eye worm) transcription factor SMAD2 0.0249 0.2908 0.2938
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0029 0.0027
Loa Loa (eye worm) hypothetical protein 0.0054 0.0545 0.055
Echinococcus multilocularis Smad4 0.0017 0.01 0.0099
Schistosoma mansoni hypothetical protein 0.0067 0.0702 0.1075
Loa Loa (eye worm) hypothetical protein 0.0054 0.0545 0.055
Echinococcus granulosus er degradation enhancing alpha mannosidase 0.002 0.0133 0.0132
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0125 0.0329
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0067 0.0702 0.07
Brugia malayi FXNA 0.0054 0.0545 0.1875
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0029 0.0027
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0111 0.0067
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0029 0.0027
Schistosoma mansoni hypothetical protein 0.0011 0.003 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0501 0.0499
Plasmodium falciparum thioredoxin reductase 0.0052 0.0519 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0239 0.024
Echinococcus multilocularis er degradation enhancing alpha mannosidase er degradation enhancer mannosidase alpha 0.002 0.0133 0.0132
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.0111 0.011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0029 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0029 0.0098
Schistosoma mansoni apoptosis regulator bax 0.0067 0.0702 0.1075
Brugia malayi hypothetical protein 0.0016 0.009 0.0309
Loa Loa (eye worm) hypothetical protein 0.0011 0.0029 0.0028
Loa Loa (eye worm) nuclear factor I 0.0009 0.0008 0.0007
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0125 1
Echinococcus granulosus expressed protein 0.002 0.0133 0.0132
Schistosoma mansoni hypothetical protein 0.0353 0.4163 0.6602
Mycobacterium ulcerans hypothetical protein 0.0155 0.1768 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0029 0.0098
Brugia malayi nicalin 0.0054 0.0545 0.1875
Echinococcus granulosus geminin 0.0353 0.4163 0.4163
Loa Loa (eye worm) hypothetical protein 0.0011 0.0029 0.0028
Leishmania major hypothetical protein, conserved 0.0054 0.0545 0.1358
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.0519 0.2563
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0147 0.1678 0.5769
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.0111 0.0067
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0125 0.5
Toxoplasma gondii hypothetical protein 0.002 0.0133 0.0969
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0067 0.0702 0.07
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0029 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0029 0.0098
Echinococcus multilocularis smad 0.0017 0.01 0.0099
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0029 0.0098
Brugia malayi Thioredoxin reductase 0.0052 0.0519 0.1784
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0125 0.0857
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0197 0.0323
Schistosoma mansoni cpg binding protein 0.003 0.0259 0.0368
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0029 0.0098
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0138 0.1562 0.1561
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.0519 0.0517
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.0501 0.0754
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0088 0.0087
Schistosoma mansoni hypothetical protein 0.0047 0.0459 0.0687
Echinococcus multilocularis geminin 0.0353 0.4163 0.4163
Schistosoma mansoni cpg binding protein 0.0028 0.0239 0.0336
Brugia malayi MH1 domain containing protein 0.0017 0.01 0.0344
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.0519 0.0517
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0125 1
Schistosoma mansoni mannosyl-oligosaccharidealpha-12-mannosidase-r el ated 0.002 0.0133 0.0167
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0131 0.1477 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0125 0.0086
Loa Loa (eye worm) hypothetical protein 0.0011 0.0029 0.0028
Schistosoma mansoni zinc finger protein 0.002 0.0133 0.0167
Schistosoma mansoni hypothetical protein 0.0353 0.4163 0.6602
Schistosoma mansoni hypothetical protein 0.0047 0.0459 0.0687
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.0519 0.0523
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0029 0.0027
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0125 0.0124
Mycobacterium tuberculosis Probable reductase 0.0118 0.1318 0.7323
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.0111 0.0067
Plasmodium falciparum glutathione reductase 0.0018 0.0111 0.0524
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0054 0.0545 0.0544
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.0111 0.0067
Schistosoma mansoni cpg binding protein 0.003 0.0259 0.0368
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0395 0.0911
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.0111 0.011
Leishmania major glutaminyl cyclase, putative 0.0054 0.0545 0.1358
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0029 0.0027
Trypanosoma cruzi glutaminyl cyclase, putative 0.0054 0.0545 0.1358
Brugia malayi hypothetical protein 0.0025 0.0197 0.0678
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0459 0.0458
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0125 0.011
Toxoplasma gondii hypothetical protein 0.0054 0.0545 0.995
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0111 0.0067
Trypanosoma brucei trypanothione reductase 0.0052 0.0519 0.128
Echinococcus granulosus smad 0.0017 0.01 0.0099
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0054 0.0545 0.0544
Echinococcus multilocularis GPCR, family 2 0.0047 0.0459 0.0458
Loa Loa (eye worm) hypothetical protein 0.0011 0.0029 0.0028
Onchocerca volvulus Putative zinc finger protein 0.002 0.0133 0.0524
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0054 0.0184
Leishmania major hypothetical protein, conserved 0.0025 0.0197 0.0323
Loa Loa (eye worm) hypothetical protein 0.0009 0.0008 0.0007
Leishmania major trypanothione reductase 0.0052 0.0519 0.128
Echinococcus multilocularis thyroid hormone receptor alpha 0.0149 0.1696 0.1695
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0029 0.0028
Trypanosoma brucei PA domain containing protein, putative 0.002 0.0133 0.0132
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0111 0.0067
Brugia malayi latrophilin 2 splice variant baaae 0.0101 0.1114 0.3829
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.0519 0.128
Echinococcus multilocularis e3 ubiquitin protein ligase RNF13 0.002 0.0133 0.0132
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.01 0.0114
Mycobacterium ulcerans hypothetical protein 0.0054 0.0545 0.2621
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0067 0.0702 0.2413
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.1578 0.4429
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0088 0.0087
Loa Loa (eye worm) glutathione reductase 0.0052 0.0519 0.0523
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0029 0.0098
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.01 0.0099
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.0111 0.0132
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.0054 0.0545 0.0544
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0125 0.0329
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0147 0.1678 0.1694
Schistosoma mansoni protease 0.002 0.0133 0.0167
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0029 0.0027
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.0111 0.0134
Onchocerca volvulus Fxna peptidase homolog 0.0054 0.0545 0.2593
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0029 0.0027
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0138 0.1562 0.1561
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0131 0.1477 0.8269
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0459 0.0458
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.0111 0.0067
Loa Loa (eye worm) MH2 domain-containing protein 0.0249 0.2908 0.2938
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0029 0.0098
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0067 0.0702 0.1075
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.0111 0.0524
Brugia malayi CXXC zinc finger family protein 0.0028 0.0239 0.0823
Brugia malayi MH2 domain containing protein 0.0249 0.2908 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0029 0.0027
Echinococcus granulosus e3 ubiquitin protein ligase RNF13 0.002 0.0133 0.0132
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0118 0.1318 0.7323
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0625 0.0953
Loa Loa (eye worm) apoptosis regulator protein 0.0067 0.0702 0.0708
Schistosoma mansoni hypothetical protein 0.0067 0.0702 0.1075
Schistosoma mansoni hypothetical protein 0.0067 0.0702 0.1075
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.0501 0.0499
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.01 0.01
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0459 0.0462
Brugia malayi ecdysteroid receptor 0.0011 0.0029 0.0098
Brugia malayi MH1 domain containing protein 0.0009 0.0008 0.0029
Loa Loa (eye worm) hypothetical protein 0.0548 0.653 0.6599
Schistosoma mansoni smad 0.0017 0.01 0.0114
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0504 0.1236
Schistosoma mansoni zinc finger protein 0.002 0.0133 0.0167
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.0501 0.0505
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0029 0.0027
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0029 0.0098
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.0111 0.0492
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0029 0.0098
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0088 0.0088
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.003 0.0029
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0029 0.0098
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.01 0.01
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.01 0.0099
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0125 0.0125
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0088 0.0304
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0125 0.0857
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0029 0.0028
Schistosoma mansoni Smad4 0.0017 0.01 0.0114
Loa Loa (eye worm) PA domain-containing protein 0.002 0.0133 0.0133
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0029 0.0027
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0088 0.0087
Schistosoma mansoni thyroid hormone receptor 0.0149 0.1696 0.2662
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0088 0.0095
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.0054 0.0545 1
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0197 0.0323
Onchocerca volvulus Glutaminyl cyclase homolog 0.0054 0.0545 0.2593
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0176 0.202 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0139 0.1578 0.4429
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.0807 0.9656 0.9656
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0118 0.1318 0.7323
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0197 0.2526
Brugia malayi Calcitonin receptor-like protein seb-1 0.0147 0.1678 0.5769
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.0111 0.0382
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0118 0.1318 0.7323
Loa Loa (eye worm) hypothetical protein 0.0753 0.9006 0.9102
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0139 0.1578 0.4429
Onchocerca volvulus Fxna peptidase homolog 0.0054 0.0545 0.2593
Brugia malayi PA domain containing protein 0.002 0.0133 0.0457
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.345 1
Toxoplasma gondii hypothetical protein 0.0047 0.0468 0.8275
Brugia malayi steroid hormone receptor 0.0011 0.0029 0.0098
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0029 0.0098
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.01 0.0099
Trypanosoma brucei glutaminyl cyclase, putative 0.0054 0.0545 0.1358
Echinococcus granulosus dnaJ subfamily B 0.0405 0.4801 0.48
Loa Loa (eye worm) Smad1 0.0017 0.01 0.01
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.0111 0.0067
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0029 0.0027
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0029 0.0027
Loa Loa (eye worm) hypothetical protein 0.0826 0.9894 1
Echinococcus granulosus Smad4 0.0017 0.01 0.0099
Schistosoma mansoni hypothetical protein 0.0405 0.4801 0.762
Loa Loa (eye worm) hypothetical protein 0.0067 0.0702 0.0708
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0054 0.0184
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0789 0.9442 0.9442
Brugia malayi MH1 domain containing protein 0.0009 0.0008 0.0029
Schistosoma mansoni nicalin (M28 family) 0.0054 0.0545 0.0825
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0029 0.0028
Mycobacterium tuberculosis Conserved protein 0.0054 0.0545 0.272
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.01 0.0099
Toxoplasma gondii peptidase, M28 family protein 0.0054 0.0545 0.995
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.0501 0.0499
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.0111 0.0524
Echinococcus granulosus cpg binding protein 0.003 0.0259 0.0258
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0029 0.0028
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0547 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0125 0.011
Brugia malayi isocitrate dehydrogenase 0.0016 0.0088 0.0304
Schistosoma mansoni smad1 5 8 and 0.0017 0.01 0.0114
Loa Loa (eye worm) hypothetical protein 0.0011 0.0029 0.0028
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0395 0.0911
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0111 0.0067
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.0111 0.0067
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.0073 0.0783 0.4058
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0545 1
Schistosoma mansoni thyroid hormone receptor 0.0149 0.1696 0.2662
Onchocerca volvulus Fxna peptidase homolog 0.0054 0.0545 0.2593
Onchocerca volvulus 0.0028 0.0239 0.1058
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0395 0.0911
Plasmodium vivax glutathione reductase, putative 0.0052 0.0519 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0029 0.0027
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.0501 0.1721
Schistosoma mansoni ap endonuclease 0.0019 0.0125 0.0154
Trypanosoma cruzi glutaminyl cyclase, putative 0.0054 0.0545 0.1358
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.0111 0.0067
Trichomonas vaginalis conserved hypothetical protein 0.0054 0.0545 1
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.0054 0.0545 0.0825
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.0073 0.0783 0.4138
Brugia malayi MH1 domain containing protein 0.0017 0.01 0.0344
Loa Loa (eye worm) hypothetical protein 0.0011 0.0029 0.0028
Loa Loa (eye worm) hypothetical protein 0.0147 0.1678 0.1694
Brugia malayi MH2 domain containing protein 0.0017 0.01 0.0344
Toxoplasma gondii thioredoxin reductase 0.0052 0.0519 0.9375
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0459 0.0458
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0088 0.0087
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.0111 0.0492
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.0111 0.0524
Onchocerca volvulus 0.002 0.0133 0.0524
Schistosoma mansoni hypothetical protein 0.0101 0.1114 0.1732
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0125 0.022
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0294 0.345 1
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.0529 0.6291 1
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.0111 0.0067
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.0519 1
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.0054 0.0545 0.0544
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0029 0.0028
Echinococcus multilocularis cpg binding protein 0.003 0.0259 0.0258
Brugia malayi leucyl aminopeptidase 0.0054 0.0545 0.1875
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0029 0.0027
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0088 0.0087
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0131 0.1477 0.8269
Brugia malayi Smad1 0.0017 0.01 0.0344
Loa Loa (eye worm) hypothetical protein 0.0047 0.0459 0.0462
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0125 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0545 0.055
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0459 0.1578
Schistosoma mansoni hypothetical protein 0.0138 0.1562 0.2449
Onchocerca volvulus 0.0054 0.0545 0.2593
Toxoplasma gondii exonuclease III APE 0.0019 0.0125 0.0803
Brugia malayi nuclear hormone receptor 0.0011 0.0029 0.0098
Echinococcus granulosus GPCR family 2 0.0047 0.0459 0.0458
Leishmania major mitochondrial DNA polymerase beta 0.0294 0.345 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0029 0.0028
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0395 0.0911

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.027 uM Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing mouse FL5.12 cells in presence of bovine gelatin ChEMBL. 17256834
EC50 (functional) = 0.027 uM Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing mouse FL5.12 cells in presence of bovine gelatin ChEMBL. 17256834
EC50 (functional) = 0.13 uM Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressing mouse FL5.12 cells in presence of bovine gelatin ChEMBL. 17256834
EC50 (functional) = 0.13 uM Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressing mouse FL5.12 cells in presence of bovine gelatin ChEMBL. 17256834
EC50 (functional) = 0.66 uM Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing mouse FL5.12 cells in presence of 3% FBS ChEMBL. 17256834
EC50 (functional) = 0.66 uM Reversal of cytokine withdrawal protection in IL3 dependent Bcl2 overexpressing mouse FL5.12 cells in presence of 3% FBS ChEMBL. 17256834
EC50 (functional) = 0.71 uM Reversal of cytokine withdrawal protection in IL3 dependent Bcl-xL overexpressing mouse FL5.12 cells in presence of 3% FBS ChEMBL. 17256834
IC50 (binding) < 60 nM Displacement of Bad-derived peptide from Bcl-xL by FPA in presence of 10% human serum ChEMBL. 17256834
IC50 (binding) < 60 nM Displacement of Bad-derived peptide from Bcl-xL by FPA in presence of 10% human serum ChEMBL. 17256834
Ki (binding) < 0.5 nM Displacement of Bad-derived peptide from Bcl-xL by fluorescence polarization assay ChEMBL. 17256834
Ki (binding) < 0.5 nM Displacement of Bad-derived peptide from Bcl-xL by fluorescence polarization assay ChEMBL. 17256834
Ki (binding) < 1 nM Displacement of Bax-derived peptide from Bcl2 by fluorescence polarization assay ChEMBL. 17256834
Ki (binding) < 1 nM Displacement of Bax-derived peptide from Bcl2 by fluorescence polarization assay ChEMBL. 17256834

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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