Detailed information for compound 334051

Basic information

Technical information
  • TDR Targets ID: 334051
  • Name: N-[(2S)-1-[[(2S)-1-[[(2S)-1-(2-chloro-4-nitro anilino)-1-oxo-3-phenylpropan-2-yl]amino]-4-m ethyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxob utan-2-yl]morpholine-4-carboxamide
  • MW: 645.146 | Formula: C31H41ClN6O7
  • H donors: 4 H acceptors: 6 LogP: 4.31 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(C[C@@H](C(=O)N[C@H](C(=O)Nc1ccc(cc1Cl)[N+](=O)[O-])Cc1ccccc1)NC(=O)[C@H](C(C)C)NC(=O)N1CCOCC1)C
  • InChi: 1S/C31H41ClN6O7/c1-19(2)16-25(35-30(41)27(20(3)4)36-31(42)37-12-14-45-15-13-37)28(39)34-26(17-21-8-6-5-7-9-21)29(40)33-24-11-10-22(38(43)44)18-23(24)32/h5-11,18-20,25-27H,12-17H2,1-4H3,(H,33,40)(H,34,39)(H,35,41)(H,36,42)/t25-,26-,27-/m0/s1
  • InChiKey: APESTHUDNBUUAQ-QKDODKLFSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(1S)-1-[[(1S)-1-[[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]morpholine-4-carboxamide
  • N-[(1S)-1-[[[(1S)-1-[[[(1S)-1-benzyl-2-(2-chloro-4-nitroanilino)-2-oxoethyl]amino]-oxomethyl]-3-methylbutyl]amino]-oxomethyl]-2-methylpropyl]-4-morpholinecarboxamide
  • N-[(2S)-1-[[(2S)-1-[[(2S)-1-[(2-chloro-4-nitro-phenyl)amino]-1-oxo-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxo-pentan-2-yl]amino]-3-methyl-1-oxo-butan-2-yl]morpholine-4-carboxamide
  • N-[(1S)-1-[[(1S)-1-[[(1S)-1-benzyl-2-(2-chloro-4-nitro-anilino)-2-keto-ethyl]carbamoyl]-3-methyl-butyl]carbamoyl]-2-methyl-propyl]morpholine-4-carboxamide

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
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0005 0.0005
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.025 0.2131 1
Mycobacterium ulcerans oxidoreductase 0.0248 0.2115 0.3093
Brugia malayi CXXC zinc finger family protein 0.003 0.0204 0.0204
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Trypanosoma brucei heat shock protein, putative 0.0034 0.0239 0.4709
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Trypanosoma cruzi UDP-galactopyranose mutase 0.0248 0.2115 1
Trichomonas vaginalis heat shock protein, putative 0.0034 0.0239 0.3432
Trypanosoma brucei unspecified product 0.002 0.0117 0.2307
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0117 0.0127
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0117 0.1681
Leishmania major hypothetical protein, conserved 0.0065 0.0507 0.2398
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0005 0.0005
Echinococcus granulosus heat shock protein 0.0034 0.0239 0.0258
Schistosoma mansoni heat shock protein 0.0014 0.0062 0.0067
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0005 0.0005
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Plasmodium vivax FAD-dependent monooxygenase, putative 0.0065 0.0507 0.2398
Trypanosoma brucei heat shock protein, putative 0.0034 0.0239 0.4709
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0014 0.0062 0.0067
Plasmodium vivax heat shock protein, putative 0.0014 0.0062 0.0292
Treponema pallidum heat shock protein 90 0.0027 0.0178 1
Toxoplasma gondii heat shock protein 75, putative 0.0014 0.0062 0.029
Echinococcus granulosus geminin 0.0178 0.1502 0.1625
Schistosoma mansoni DNA polymerase eta 0.002 0.0117 0.0127
Entamoeba histolytica heat shock protein 90, putative 0.0034 0.0239 0.3432
Giardia lamblia DINP protein human, muc B family 0.002 0.0117 0.1681
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0014 0.0062 0.0888
Echinococcus multilocularis protein MICAL 3 0.0065 0.0507 0.0549
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0239 0.1129
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0178 0.2555
Giardia lamblia hypothetical protein 0.0086 0.0696 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Giardia lamblia Heat shock protein HSP 90-alpha 0.0034 0.0239 0.3432
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Loa Loa (eye worm) heat shock protein 90 0.0034 0.0239 0.0239
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0248 0.2115 1
Mycobacterium leprae possibleputative FAD-linked oxidoreductase 0.0065 0.0507 0.2398
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0117 0.0553
Leishmania major DNA polymerase kappa, putative 0.002 0.0117 0.0553
Loa Loa (eye worm) hypothetical protein 0.002 0.0117 0.0117
Onchocerca volvulus 0.1149 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0062 0.1217
Mycobacterium ulcerans monoamine oxidase 0.0248 0.2115 0.3093
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Echinococcus multilocularis endoplasmin 0.0027 0.0178 0.0192
Trypanosoma cruzi heat shock protein, putative 0.0014 0.0062 0.0292
Toxoplasma gondii SWIRM domain-containing protein 0.0086 0.0696 0.3265
Trypanosoma brucei heat shock protein 84, putative 0.0014 0.0062 0.1219
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0023
Mycobacterium tuberculosis Possible oxidoreductase 0.0065 0.0507 0.1088
Loa Loa (eye worm) heat shock protein 75 0.0014 0.0062 0.0062
Mycobacterium ulcerans hypothetical protein 0.0065 0.0507 0.0742
Echinococcus multilocularis dna polymerase kappa 0.002 0.0117 0.0127
Toxoplasma gondii FAD binding domain-containing protein 0.0065 0.0507 0.238
Echinococcus multilocularis heat shock protein 90 0.0027 0.0178 0.0192
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0117 0.0553
Entamoeba histolytica SWIRM domain protein 0.0086 0.0696 1
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0027 0.0178 0.0841
Loa Loa (eye worm) hypothetical protein 0.1062 0.9243 0.9243
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0117 0.0127
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0117 0.2307
Plasmodium vivax hypothetical protein, conserved 0.0065 0.0507 0.2398
Plasmodium vivax heat shock protein 86, putative 0.0034 0.0239 0.1129
Leishmania major heat shock protein, putative 0.0014 0.0062 0.0292
Trypanosoma cruzi heat shock protein 90, putative 0.0034 0.0239 0.1129
Brugia malayi heat shock protein 90 0.0034 0.0239 0.0239
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0117 0.0171
Schistosoma mansoni cpg binding protein 0.0032 0.0219 0.0237
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0239 0.1129
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0014 0.0062 0.0067
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0086 0.0696 0.0753
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0021 0.0021
Echinococcus multilocularis 0.0248 0.2115 0.2288
Mycobacterium ulcerans FAD-linked oxidoreductase 0.0065 0.0507 0.0742
Trypanosoma brucei heat shock protein 90, putative 0.0034 0.0239 0.4709
Loa Loa (eye worm) endoplasmin 0.0034 0.0239 0.0239
Brugia malayi Endoplasmin precursor 0.0034 0.0239 0.0239
Toxoplasma gondii Hsp90 domain-containing protein 0.0014 0.0062 0.029
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0027 0.0178 0.0192
Plasmodium vivax hypothetical protein, conserved 0.0248 0.2115 1
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0086 0.0696 0.0753
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0117 0.0127
Loa Loa (eye worm) hypothetical protein 0.0065 0.0507 0.0507
Trypanosoma brucei Heat shock protein 83, putative 0.0034 0.0239 0.4709
Giardia lamblia Grp94/Hsp90 0.0027 0.0178 0.2555
Trypanosoma cruzi heat shock protein 85, putative 0.0034 0.0239 0.1129
Schistosoma mansoni hypothetical protein 0.0065 0.0507 0.0549
Echinococcus granulosus ubiquinone biosynthesis monooxygenase COQ6 0.0065 0.0507 0.0549
Trypanosoma cruzi Monooxygenase, putative 0.0065 0.0507 0.2398
Plasmodium falciparum protoporphyrinogen oxidase 0.0248 0.2115 1
Toxoplasma gondii FAD binding domain-containing protein 0.0065 0.0507 0.238
Echinococcus multilocularis geminin 0.0178 0.1502 0.1625
Leishmania major DNA polymerase eta, putative 0.002 0.0117 0.0553
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0117 0.0127
Schistosoma mansoni SWI/SNF complex-related 0.0086 0.0696 0.0753
Mycobacterium tuberculosis Possible oxidoreductase 0.0248 0.2115 0.4537
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0117 0.2307
Loa Loa (eye worm) hypothetical protein 0.0248 0.2115 0.2115
Loa Loa (eye worm) hypothetical protein 0.1062 0.9243 0.9243
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0248 0.2115 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Onchocerca volvulus 0.003 0.0204 0.0204
Trichomonas vaginalis endoplasmin, putative 0.0021 0.0123 0.1766
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0117 0.0553
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0248 0.2115 1
Wolbachia endosymbiont of Brugia malayi 2-polyprenyl-6-methoxyphenol 4-hydroxylase 0.0065 0.0507 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0057 0.0441 0.2069
Mycobacterium ulcerans hypothetical protein 0.0065 0.0507 0.0742
Schistosoma mansoni amine oxidase 0.0248 0.2115 0.2288
Mycobacterium ulcerans oxidoreductase 0.0065 0.0507 0.0742
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Mycobacterium tuberculosis Possible oxidoreductase 0.0065 0.0507 0.1088
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0014 0.0062 0.0062
Echinococcus granulosus dna polymerase kappa 0.002 0.0117 0.0127
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0696 1
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Schistosoma mansoni hypothetical protein 0.0178 0.1502 0.1625
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0062 0.1217
Mycobacterium tuberculosis Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO) 0.0539 0.466 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Mycobacterium tuberculosis Possible oxidoreductase 0.0065 0.0507 0.1088
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0117 0.2307
Echinococcus multilocularis lysine specific histone demethylase 1A 0.1062 0.9243 1
Mycobacterium ulcerans oxidoreductase 0.0065 0.0507 0.0742
Schistosoma mansoni Lysine-specific histone demethylase 1 0.1062 0.9243 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0021 0.0023
Schistosoma mansoni cpg binding protein 0.0032 0.0219 0.0237
Trypanosoma cruzi heat shock protein 90, putative 0.002 0.0116 0.0548
Echinococcus granulosus endoplasmin 0.0027 0.0178 0.0192
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0248 0.2115 1
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Echinococcus multilocularis heat shock protein 90 0.0034 0.0239 0.0258
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Plasmodium vivax hypothetical protein, conserved 0.0248 0.2115 1
Schistosoma mansoni hypothetical protein 0.0178 0.1502 0.1625
Schistosoma mansoni heat shock protein 0.0034 0.0239 0.0258
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Schistosoma mansoni amine oxidase 0.0248 0.2115 0.2288
Toxoplasma gondii heat shock protein HSP90 0.0034 0.0239 0.1121
Plasmodium falciparum heat shock protein 90, putative 0.0014 0.0062 0.0292
Mycobacterium ulcerans hypothetical protein 0.0065 0.0507 0.0742
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0787 0.6836 1
Plasmodium falciparum heat shock protein 90, putative 0.0014 0.0062 0.0292
Loa Loa (eye worm) hypothetical protein 0.1149 1 1
Mycobacterium ulcerans FAD-dependent oxidoreductase 0.0065 0.0507 0.0742
Entamoeba histolytica SWIRM domain protein 0.0086 0.0696 1
Plasmodium vivax endoplasmin, putative 0.0034 0.0239 0.1129
Mycobacterium ulcerans oxidoreductase GMC-type 0.0065 0.0507 0.0742
Trypanosoma brucei kynurenine 3-monooxygenase, putative 0.0065 0.0507 1
Loa Loa (eye worm) hypothetical protein 0.0248 0.2115 0.2115
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0027 0.0178 0.0841
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0178 0.2555
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0027 0.0178 0.3505
Chlamydia trachomatis protoporphyrinogen oxidase 0.0248 0.2115 1
Trypanosoma brucei heat shock protein 90, putative 0.0034 0.0239 0.4709
Schistosoma mansoni monoxygenase 0.0065 0.0507 0.0549
Chlamydia trachomatis monooxygenase 0.0065 0.0507 0.2398
Schistosoma mansoni endoplasmin 0.0034 0.0239 0.0258
Mycobacterium tuberculosis Probable oxidoreductase 0.0065 0.0507 0.1088
Trichomonas vaginalis conserved hypothetical protein 0.0086 0.0696 1
Echinococcus multilocularis cpg binding protein 0.0032 0.0219 0.0237
Leishmania major hypothetical protein, conserved 0.0065 0.0507 0.2398
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0005 0.0005
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Schistosoma mansoni endoplasmin 0.0034 0.0239 0.0258
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0117 0.2307
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.002 0.002
Entamoeba histolytica heat shock protein 90, putative 0.0034 0.0239 0.3432
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Trypanosoma brucei Monooxygenase, putative 0.0065 0.0507 1
Brugia malayi Hsp90 protein 0.0014 0.0062 0.0062
Loa Loa (eye worm) hypothetical protein 0.0086 0.0696 0.0696
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Brugia malayi SWIRM domain containing protein 0.0086 0.0696 0.0696
Entamoeba histolytica hypothetical protein 0.0086 0.0696 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Echinococcus multilocularis dna polymerase eta 0.002 0.0117 0.0127
Trichomonas vaginalis heat shock protein, putative 0.0027 0.0178 0.2555
Giardia lamblia Heat shock protein HSP 90-alpha 0.0027 0.0178 0.2555
Trypanosoma cruzi hypothetical protein, conserved 0.0065 0.0507 0.2398
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0117 0.0251
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0117 0.1681
Echinococcus granulosus lysine specific histone demethylase 1A 0.1062 0.9243 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0501 0.0542
Trichomonas vaginalis heat shock protein, putative 0.0014 0.0062 0.0888
Echinococcus granulosus protein MICAL 3 0.0065 0.0507 0.0549
Brugia malayi amine oxidase, flavin-containing family protein 0.0335 0.2871 0.2871
Echinococcus multilocularis ubiquinone biosynthesis monooxygenase COQ6 0.0065 0.0507 0.0549
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0204 0.0204
Leishmania major UDP-galactopyranose mutase 0.0248 0.2115 1
Trypanosoma brucei unspecified product 0.0014 0.0062 0.1217
Plasmodium falciparum endoplasmin, putative 0.0021 0.0123 0.0581
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Schistosoma mansoni heat shock protein 0.0034 0.0239 0.0258
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0117 0.0553
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0117 0.0117
Echinococcus granulosus dna polymerase eta 0.002 0.0117 0.0127
Plasmodium falciparum FAD-dependent monooxygenase, putative 0.0065 0.0507 0.2398
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0027 0.0178 0.0381
Echinococcus granulosus lysine specific histone demethylase 1A 0.0248 0.2115 0.2288
Mycobacterium tuberculosis Conserved hypothetical protein 0.0248 0.2115 0.4537
Trypanosoma brucei heat shock protein, putative 0.0034 0.0239 0.4709
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0117 0.1681
Echinococcus multilocularis heat shock protein 0.0034 0.0239 0.0258
Toxoplasma gondii heat shock protein 90, putative 0.0034 0.0239 0.1121
Trichomonas vaginalis heat shock protein, putative 0.0021 0.0123 0.1766
Trypanosoma brucei heat shock protein, putative 0.0034 0.0239 0.4709
Plasmodium vivax heat shock protein 90, putative 0.0014 0.0062 0.0292
Echinococcus granulosus cpg binding protein 0.0032 0.0219 0.0237
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0117 0.0251
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0117 0.0553
Toxoplasma gondii histone lysine-specific demethylase 0.0248 0.2115 0.9924
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0248 0.2115 0.2288
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0248 0.2115 0.3093
Trypanosoma brucei heat shock protein, putative 0.0034 0.0239 0.4709
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0787 0.6836 1
Echinococcus granulosus heat shock protein 90 0.0034 0.0239 0.0258
Trypanosoma brucei heat shock protein, putative 0.0034 0.0239 0.4709
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0062 0.1217
Mycobacterium tuberculosis Probable oxidoreductase 0.0065 0.0507 0.1088
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0117 0.2307
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0117 0.0117
Brugia malayi hypothetical protein 0.0248 0.2115 0.2115
Echinococcus granulosus heat shock protein 90 0.0027 0.0178 0.0192
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0117 0.0117
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0117 0.0171
Schistosoma mansoni cpg binding protein 0.003 0.0204 0.0221
Mycobacterium ulcerans dehydrogenase 0.0248 0.2115 0.3093
Trypanosoma brucei unspecified product 0.0014 0.0062 0.1217
Trypanosoma brucei heat shock protein, putative 0.0034 0.0239 0.4709
Trypanosoma cruzi heat shock protein 85, putative 0.0027 0.0178 0.0841
Trypanosoma cruzi UDP-galactopyranose mutase 0.0248 0.2115 1
Leishmania major heat shock protein 83-1 0.0034 0.0239 0.1129
Mycobacterium ulcerans heat shock protein 90 0.0027 0.0178 0.026
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0005 0.0005
Echinococcus multilocularis protoporphyrinogen oxidase 0.0248 0.2115 0.2288
Trypanosoma cruzi heat shock protein 90, putative 0.0027 0.0178 0.0841
Loa Loa (eye worm) hypothetical protein 0.0335 0.2871 0.2871
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0248 0.2115 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0117 0.0553
Trypanosoma cruzi Heat shock protein 83, putative 0.0034 0.0239 0.1129
Plasmodium falciparum heat shock protein 90 0.0034 0.0239 0.1129
Mycobacterium ulcerans membrane-associated oxidoreductase 0.0065 0.0507 0.0742
Trypanosoma brucei heat shock protein, putative 0.0034 0.0239 0.4709

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 19 uM Concentration required to inhibit SARS-CoV 3CL protease catalyzed cleavage of fluorogenic peptide Dabcyl-KTSAVLQSGFRKME-Edans by 50% ChEMBL. 15974598

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.
 
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

1 literature reference was collected for this gene.

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