Detailed information for compound 436561

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 423.458 | Formula: C24H25NO6
  • H donors: 0 H acceptors: 3 LogP: 5.35 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)cc(cc1OC)/C=C/1\CCCC/C(=C\c2ccc(cc2)[N+](=O)[O-])/C1=O
  • InChi: 1S/C24H25NO6/c1-29-21-14-17(15-22(30-2)24(21)31-3)13-19-7-5-4-6-18(23(19)26)12-16-8-10-20(11-9-16)25(27)28/h8-15H,4-7H2,1-3H3/b18-12+,19-13+
  • InChiKey: IXMNAIITYNTSFR-KLCVKJMQSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Onchocerca volvulus 0.0067 0.05 0.1857
Trypanosoma cruzi histone deacetylase 1, putative 0.0343 0.6807 0.6936
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0157 0.2571 0.2531
Schistosoma mansoni hypothetical protein 0.0053 0.0183 0.0187
Leishmania major cathepsin L-like protease 0.0115 0.1611 0.1533
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Trypanosoma cruzi cysteine peptidase, putative 0.0115 0.1611 0.1533
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.0946 0.0841
Echinococcus granulosus inhibitor of apoptosis protein 0.0053 0.0183 0.0187
Echinococcus multilocularis chromatin regulatory protein sir2 0.0472 0.9754 1
Trypanosoma brucei histone deacetylase 1 0.0343 0.6807 0.6936
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0115 0.1611 0.1652
Trypanosoma brucei SIR2-like protein 4, putative 0.0097 0.1199 0.1104
Leishmania major cathepsin L-like protease 0.0115 0.1611 0.1533
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0115 0.1611 0.1314
Schistosoma mansoni histone deacetylase 4 5 0.0204 0.365 0.3742
Loa Loa (eye worm) histone deacetylase 3 0.0343 0.6807 0.6979
Trypanosoma cruzi histone deacetylase, putative 0.0204 0.365 0.3653
Loa Loa (eye worm) sirtuin 4 0.0097 0.1199 0.1229
Loa Loa (eye worm) hypothetical protein 0.0075 0.0703 0.0721
Schistosoma mansoni chromatin regulatory protein sir2 0.0311 0.6089 0.6243
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0311 0.6089 0.6091
Mycobacterium ulcerans beta-lactamase 0.0075 0.0703 0.1416
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0703 0.0721
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Leishmania major sir2-family protein-like protein 0.0097 0.1199 0.1104
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0098 0.1222 0.1253
Trypanosoma brucei hypothetical protein, conserved 0.0075 0.0703 0.0589
Giardia lamblia Histone deacetylase 0.0343 0.6807 0.6824
Echinococcus granulosus cysteine protease 0.0061 0.038 0.039
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0066 0.0478 0.049
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0128 0.1892 0.194
Mycobacterium tuberculosis Conserved protein 0.0075 0.0703 0.0574
Echinococcus multilocularis histone deacetylase 1 0.0343 0.6807 0.6979
Leishmania major histone deacetylase, putative 0.0343 0.6807 0.6936
Echinococcus granulosus NAD dependent deacetylase sirtuin 7 0.0097 0.1199 0.1229
Loa Loa (eye worm) hypothetical protein 0.0115 0.1611 0.1652
Onchocerca volvulus Peroxidase homolog 0.0067 0.05 0.1857
Loa Loa (eye worm) hypothetical protein 0.0075 0.0703 0.0721
Echinococcus granulosus histone deacetylase 7 0.0204 0.365 0.3742
Brugia malayi eukaryotic initiation factor 4A 0.0098 0.1222 0.1253
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0061 0.038 0.0253
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0472 0.9754 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0115 0.1611 0.1314
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0098 0.1222 0.1176
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0115 0.1611 0.1916
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0115 0.1611 0.1652
Toxoplasma gondii histone deacetylase HDAC5 0.0123 0.1785 0.2065
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Brugia malayi NAD-dependent deacetylase SIRT1 0.0311 0.6089 0.6243
Brugia malayi prolyl oligopeptidase family protein 0.0128 0.1892 0.194
Loa Loa (eye worm) hypothetical protein 0.0214 0.3869 0.3966
Loa Loa (eye worm) beta-lactamase 0.0075 0.0703 0.0721
Onchocerca volvulus 0.0115 0.1611 0.8356
Echinococcus granulosus histone deacetylase 3 0.0343 0.6807 0.6979
Brugia malayi beta-lactamase family protein 0.0075 0.0703 0.0721
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Toxoplasma gondii PAN domain-containing protein 0.0293 0.5675 0.8212
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0098 0.1222 0.1253
Brugia malayi Papain family cysteine protease containing protein 0.0061 0.038 0.039
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0472 0.9754 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Chlamydia trachomatis peptide deformylase 0.0226 0.4136 0.5
Onchocerca volvulus 0.0075 0.0703 0.3045
Onchocerca volvulus 0.0078 0.0772 0.3446
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0061 0.038 0.039
Onchocerca volvulus 0.0121 0.1741 0.9117
Echinococcus granulosus histone deacetylase 6 0.0204 0.365 0.3742
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0472 0.9754 1
Brugia malayi cathepsin L-like precursor 0.0078 0.0772 0.0791
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Schistosoma mansoni histone deacetylase 1 2 3 0.0123 0.1785 0.183
Loa Loa (eye worm) ctsf protein 0.0115 0.1611 0.1652
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0157 0.2571 0.2636
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0115 0.1611 0.1652
Echinococcus granulosus cathepsin b 0.0157 0.2571 0.2636
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0098 0.1222 0.0898
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0703 0.0345
Loa Loa (eye worm) hypothetical protein 0.0082 0.0844 0.0865
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0097 0.1199 0.1104
Echinococcus multilocularis cathepsin b 0.0157 0.2571 0.2636
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0115 0.1611 0.1314
Onchocerca volvulus 0.0115 0.1611 0.8356
Plasmodium vivax hypothetical protein, conserved 0.0097 0.1199 0.1274
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0703 0.0345
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0472 0.9754 1
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0061 0.038 0.0253
Echinococcus multilocularis histone deacetylase 7 0.0204 0.365 0.3742
Loa Loa (eye worm) blistered cuticle protein 3 0.0067 0.05 0.0513
Mycobacterium ulcerans hypothetical protein 0.0075 0.0703 0.1416
Trypanosoma brucei histone deacetylase, putative 0.0204 0.365 0.3653
Echinococcus granulosus histone deacetylase 6 0.0204 0.365 0.3742
Plasmodium falciparum histone deacetylase, putative 0.0204 0.365 0.5088
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Echinococcus multilocularis cathepsin L 0.0061 0.038 0.039
Toxoplasma gondii histone deacetylase HDAC1 0.0204 0.365 0.5012
Toxoplasma gondii histone deacetylase HDAC3 0.0343 0.6807 1
Brugia malayi Cathepsin L-like precursor 0.0115 0.1611 0.1652
Trypanosoma brucei histone deacetylase 3 0.0204 0.365 0.3653
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0343 0.6807 0.6857
Loa Loa (eye worm) hypothetical protein 0.0078 0.0772 0.0791
Leishmania major silent information regulator 2, putative 0.0472 0.9754 1
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0311 0.6089 0.6243
Toxoplasma gondii histone deacetylase SIR2 0.0097 0.1199 0.1139
Onchocerca volvulus 0.0075 0.0703 0.3045
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0098 0.1222 0.6079
Leishmania major cathepsin L-like protease 0.0115 0.1611 0.1533
Schistosoma mansoni chromatin regulatory protein sir2 0.0472 0.9754 1
Onchocerca volvulus 0.0115 0.1611 0.8356
Plasmodium vivax vivapain-2 0.0115 0.1611 0.1916
Loa Loa (eye worm) hypothetical protein 0.0343 0.6807 0.6979
Mycobacterium tuberculosis Probable hydrolase 0.0075 0.0703 0.0574
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0703 0.0345
Loa Loa (eye worm) hypothetical protein 0.0075 0.0703 0.0721
Trypanosoma cruzi histone deacetylase 1, putative 0.0343 0.6807 0.6936
Echinococcus granulosus cathepsin L cysteine protease 0.0061 0.038 0.039
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0097 0.1199 0.0874
Trypanosoma brucei Polypeptide deformylase 1 0.0086 0.0946 0.0841
Leishmania major hypothetical protein, conserved 0.0075 0.0703 0.0589
Brugia malayi Animal haem peroxidase family protein 0.0067 0.05 0.0513
Mycobacterium leprae conserved hypothetical protein 0.0075 0.0703 0.1416
Echinococcus granulosus cathepsin l1 0.0078 0.0772 0.0791
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0114 0.1587 0.147
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0066 0.0478 0.0104
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0078 0.0772 0.0418
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0703 0.0589
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0115 0.1611 0.1652
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0097 0.1199 0.0874
Echinococcus multilocularis peroxidasin 0.0067 0.05 0.0513
Brugia malayi Cathepsin L-like precursor 0.0115 0.1611 0.1652
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0086 0.0946 0.0841
Trypanosoma cruzi histone deacetylase, putative 0.0204 0.365 0.3653
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Loa Loa (eye worm) hypothetical protein 0.0157 0.2571 0.2636
Loa Loa (eye worm) animal heme peroxidase 0.0067 0.05 0.0513
Brugia malayi Trypsin family protein 0.0121 0.1741 0.1785
Echinococcus granulosus cathepsin b 0.0157 0.2571 0.2636
Loa Loa (eye worm) hypothetical protein 0.0053 0.0183 0.0187
Echinococcus multilocularis cathepsin b 0.0157 0.2571 0.2636
Mycobacterium tuberculosis Transcriptional regulatory protein 0.0097 0.1199 0.1077
Leishmania major histone deacetylase, putative 0.0204 0.365 0.3653
Echinococcus granulosus prolyl endopeptidase 0.0128 0.1892 0.194
Schistosoma mansoni cathepsin F (C01 family) 0.0115 0.1611 0.1652
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0472 0.9754 1
Brugia malayi Animal haem peroxidase family protein 0.0067 0.05 0.0513
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0128 0.1892 0.1825
Onchocerca volvulus 0.0115 0.1611 0.8356
Onchocerca volvulus 0.0067 0.05 0.1857
Brugia malayi Cathepsin L-like precursor 0.0115 0.1611 0.1652
Trypanosoma cruzi hypothetical protein, conserved 0.0075 0.0703 0.0589
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Trypanosoma brucei Silent information regulator 2 related protein 3 0.0097 0.1199 0.1104
Loa Loa (eye worm) histone deacetylase 1 0.0343 0.6807 0.6979
Schistosoma mansoni cathepsin F (C01 family) 0.0078 0.0772 0.0791
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0097 0.1199 0.0874
Brugia malayi Histone deacetylase 1 0.0343 0.6807 0.6979
Mycobacterium ulcerans peptide deformylase 0.0226 0.4136 1
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Loa Loa (eye worm) histone deacetylase 0.0204 0.365 0.3742
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Brugia malayi cathepsin B-like cysteine proteinase 0.0157 0.2571 0.2636
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0066 0.0478 0.0354
Brugia malayi transcriptional regulator, Sir2 family protein 0.0097 0.1199 0.1229
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0472 0.9754 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Onchocerca volvulus Peroxidasin homolog 0.0067 0.05 0.1857
Echinococcus multilocularis beta LACTamase domain containing family member 0.0075 0.0703 0.0721
Plasmodium vivax vivapain-2 0.0115 0.1611 0.1916
Echinococcus granulosus cathepsin L 0.0061 0.038 0.039
Loa Loa (eye worm) hypothetical protein 0.0075 0.0703 0.0721
Plasmodium vivax peptide deformylase, putative 0.0226 0.4136 0.5844
Brugia malayi Papain family cysteine protease containing protein 0.0061 0.038 0.039
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0122 0.1761 0.1805
Brugia malayi Cathepsin L-like precursor 0.0115 0.1611 0.1652
Leishmania major cathepsin L-like protease 0.0115 0.1611 0.1533
Loa Loa (eye worm) hypothetical protein 0.0075 0.0703 0.0721
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0098 0.1222 0.1253
Loa Loa (eye worm) hypothetical protein 0.0082 0.0844 0.0865
Brugia malayi histone deacetylase 1 (HD1) 0.0343 0.6807 0.6979
Toxoplasma gondii histone deacetylase HDAC4 0.0123 0.1785 0.2065
Brugia malayi Cathepsin L-like precursor 0.0115 0.1611 0.1652
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0075 0.0703 0.0721
Brugia malayi Histone deacetylase family protein 0.0204 0.365 0.3742
Toxoplasma gondii histone deacetylase HDAC2 0.0343 0.6807 1
Plasmodium vivax NAD-dependent deacetylase, putative 0.0097 0.1199 0.1274
Leishmania major cathepsin L-like protease 0.0115 0.1611 0.1533
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Trichomonas vaginalis D-aminoacylase, putative 0.0075 0.0703 0.0345
Brugia malayi Blistered cuticle protein 3 0.0067 0.05 0.0513
Brugia malayi Cathepsin L-like cysteine proteinase 0.0078 0.0772 0.0791
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Onchocerca volvulus Peroxidasin homolog 0.0067 0.05 0.1857
Onchocerca volvulus 0.0115 0.1611 0.8356
Entamoeba histolytica cysteine protease, putative 0.0115 0.1611 0.1314
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0311 0.6089 0.6243
Brugia malayi histone deacetylase 3 (HD3) 0.0343 0.6807 0.6979
Plasmodium falciparum cysteine proteinase falcipain 3 0.0115 0.1611 0.1916
Plasmodium vivax hypothetical protein, conserved 0.0075 0.0703 0.0503
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0078 0.0772 0.066
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0075 0.0703 0.0574
Plasmodium falciparum peptide deformylase 0.0226 0.4136 0.5844
Leishmania major cysteine peptidase A (CPA) 0.0115 0.1611 0.1533
Mycobacterium leprae Probable lipase LipE 0.0075 0.0703 0.1416
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0115 0.1611 0.1916
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0472 0.9754 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 7 0.0097 0.1199 0.1229
Loa Loa (eye worm) histone deacetylase 11 0.0123 0.1785 0.183
Schistosoma mansoni histone deacetylase 4 5 0.0204 0.365 0.3742
Schistosoma mansoni histone deacetylase hda2 0.0204 0.365 0.3742
Leishmania major cathepsin L-like protease 0.0115 0.1611 0.1533
Brugia malayi transcriptional regulator, Sir2 family protein 0.0472 0.9754 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0075 0.0703 0.0574
Entamoeba histolytica hypothetical protein, conserved 0.0097 0.1199 0.0874
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0311 0.6089 0.6091
Schistosoma mansoni chromatin regulatory protein sir2 0.0472 0.9754 1
Toxoplasma gondii prolyl endopeptidase 0.0128 0.1892 0.2235
Onchocerca volvulus Prolyl endopeptidase homolog 0.0128 0.1892 1
Mycobacterium tuberculosis Conserved protein 0.0075 0.0703 0.0574
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0115 0.1611 0.1314
Trypanosoma cruzi histone deacetylase, putative 0.0123 0.1785 0.1713
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0097 0.1199 0.0874
Leishmania major histone deacetylase, putative 0.0343 0.6807 0.6936
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0226 0.4136 0.4054
Schistosoma mansoni histone deacetylase 0.0343 0.6807 0.6979
Onchocerca volvulus Peroxidase homolog 0.0067 0.05 0.1857
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Trypanosoma brucei Peptide deformylase 2 0.0086 0.0946 0.0841
Trypanosoma cruzi cysteine peptidase, putative 0.0115 0.1611 0.1533
Brugia malayi hypothetical protein 0.0067 0.05 0.0513
Trypanosoma brucei cysteine peptidase C (CPC) 0.0066 0.0478 0.0354
Toxoplasma gondii cathepsin CPL 0.0115 0.1611 0.1791
Echinococcus multilocularis cathepsin L cysteine protease 0.0115 0.1611 0.1652
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0098 0.1222 0.0898
Giardia lamblia Sirtuin type 2 0.0097 0.1199 0.0777
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.0946 0.0841
Echinococcus multilocularis prolyl endopeptidase 0.0128 0.1892 0.194
Echinococcus granulosus cathepsin l1 0.0115 0.1611 0.1652
Mycobacterium ulcerans lipase LipD 0.0075 0.0703 0.1416
Loa Loa (eye worm) hypothetical protein 0.0128 0.1892 0.194
Onchocerca volvulus Cathepsin F homolog 0.0115 0.1611 0.8356
Schistosoma mansoni histone deacetylase hda2 0.0123 0.1785 0.183
Echinococcus multilocularis cathepsin L cysteine protease 0.0115 0.1611 0.1652
Leishmania major NAD dependent deacetylase, putative,transcriptional regulator, Sir2 family protein, nicotinic acid mononucleotide 5,6-dimethylbe 0.0097 0.1199 0.1104
Schistosoma mansoni chromatin regulatory protein sir2 0.0097 0.1199 0.1229
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0472 0.9754 1
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0157 0.2571 0.2636
Leishmania major eukaryotic initiation factor 4a, putative 0.0098 0.1222 0.1128
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0053 0.0183 0.0187
Onchocerca volvulus 0.0088 0.0978 0.4652
Onchocerca volvulus Chorion peroxidase homolog 0.0067 0.05 0.1857
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0061 0.038 0.0253
Plasmodium vivax histone deacetylase 2, putative 0.0204 0.365 0.5088
Onchocerca volvulus 0.0067 0.05 0.1857
Loa Loa (eye worm) animal heme peroxidase 0.0067 0.05 0.0513
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0053 0.0183 0.0187
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Echinococcus granulosus NAD dependent deacetylase sirtuin 6 0.0097 0.1199 0.1229
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.6807 0.6857
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0098 0.1222 0.0898
Mycobacterium tuberculosis Probable lipase LipD 0.0075 0.0703 0.0574
Echinococcus multilocularis cysteine protease 0.0115 0.1611 0.1652
Echinococcus multilocularis histone deacetylase 6 0.0204 0.365 0.3742
Plasmodium falciparum histone deacetylase 2 0.0204 0.365 0.5088
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Trypanosoma cruzi Silent information regulator 2 related protein 3 0.0097 0.1199 0.1104
Treponema pallidum polypeptide deformylase (def) 0.0226 0.4136 1
Echinococcus granulosus chromatin regulatory protein sir2 0.0472 0.9754 1
Trypanosoma cruzi Peptide deformylase 2, putative 0.0086 0.0946 0.0841
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0343 0.6807 0.6857
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0098 0.1222 0.1253
Echinococcus multilocularis inhibitor of apoptosis protein 0.0053 0.0183 0.0187
Loa Loa (eye worm) hypothetical protein 0.0053 0.0183 0.0187
Entamoeba histolytica NAD-dependent deacetylase 1, putative 0.0097 0.1199 0.0874
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Trypanosoma cruzi cysteine peptidase, putative 0.0061 0.038 0.0253
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0098 0.1222 0.1253
Trichomonas vaginalis penicillin-binding protein, putative 0.0075 0.0703 0.0345
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0075 0.0703 0.1416
Loa Loa (eye worm) transcriptional regulator 0.0472 0.9754 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0075 0.0703 0.0721
Echinococcus multilocularis cysteine protease 0.0115 0.1611 0.1652
Mycobacterium tuberculosis Conserved protein 0.0075 0.0703 0.0574
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0472 0.9754 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0157 0.2571 0.2636
Schistosoma mansoni cathepsin F (C01 family) 0.0115 0.1611 0.1652
Loa Loa (eye worm) hypothetical protein 0.0311 0.6089 0.6243
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0066 0.0478 0.0354
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0121 0.1741 0.1785
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0226 0.4136 1
Leishmania major cathepsin L-like protease 0.0115 0.1611 0.1533
Schistosoma mansoni chromatin regulatory protein sir2 0.0097 0.1199 0.1229
Onchocerca volvulus 0.0115 0.1611 0.8356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Entamoeba histolytica cysteine proteinase, putative 0.0115 0.1611 0.1314
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0075 0.0703 0.0721
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Brugia malayi beta-lactamase 0.0075 0.0703 0.0721
Echinococcus multilocularis histone deacetylase 6 0.0204 0.365 0.3742
Brugia malayi Papain family cysteine protease containing protein 0.0115 0.1611 0.1652
Toxoplasma gondii hypothetical protein 0.0226 0.4136 0.5779
Schistosoma mansoni peroxidasin 0.0067 0.05 0.0513
Trypanosoma cruzi cysteine protease, putative 0.0061 0.038 0.0253
Echinococcus multilocularis histone deacetylase 3 0.0343 0.6807 0.6979
Plasmodium falciparum histone deacetylase 1 0.0343 0.6807 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0115 0.1611 0.1314
Trypanosoma brucei histone deacetylase 2 0.0123 0.1785 0.1713
Schistosoma mansoni inhibitor of apoptosis protein 0.0053 0.0183 0.0187
Trypanosoma cruzi cysteine peptidase, putative 0.0115 0.1611 0.1533
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0115 0.1611 0.1314
Mycobacterium tuberculosis Probable lipase LipE 0.0075 0.0703 0.0574
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Echinococcus multilocularis NAD dependent deacetylase sirtuin 6 0.0097 0.1199 0.1229
Leishmania major polypeptide deformylase-like protein, putative 0.0086 0.0946 0.0841
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0115 0.1611 0.1314
Schistosoma mansoni lipoxygenase 0.0122 0.1761 0.1805
Plasmodium vivax RNA helicase-1, putative 0.0098 0.1222 0.131
Echinococcus granulosus histone deacetylase 1 0.0343 0.6807 0.6979
Echinococcus multilocularis histone deacetylase 6 0.0204 0.365 0.3742
Plasmodium falciparum eukaryotic initiation factor 4A 0.0098 0.1222 0.131
Loa Loa (eye worm) hypothetical protein 0.0098 0.1222 0.1253
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.6807 0.6857
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0115 0.1611 0.1314
Trypanosoma cruzi cysteine proteinase, putative 0.0061 0.038 0.0253
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0075 0.0703 0.0721
Entamoeba histolytica histone deacetylase, putative 0.0343 0.6807 0.6857
Onchocerca volvulus 0.0115 0.1611 0.8356
Plasmodium vivax histone deacetylase, putative 0.0204 0.365 0.5088
Brugia malayi Cathepsin L-like precursor 0.0078 0.0772 0.0791
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0311 0.6089 0.6091
Leishmania major cathepsin L-like protease 0.0115 0.1611 0.1533
Mycobacterium ulcerans NAD-dependent deacetylase 0.0097 0.1199 0.2655
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0122 0.1761 0.1805
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Trypanosoma brucei histone deacetylase 4 0.0204 0.365 0.3653
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0053 0.0183 0.0187
Loa Loa (eye worm) cysteine protease 0.0115 0.1611 0.1652
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0343 0.6807 0.6857
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Trypanosoma cruzi prolyl endopeptidase 0.0128 0.1892 0.1825
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0061 0.038 0.039
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0098 0.1222 0.0898
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0097 0.1199 0.0874
Mycobacterium ulcerans Sir2-like regulatory protein 0.0097 0.1199 0.2655
Loa Loa (eye worm) cathepsin B 0.0066 0.0478 0.049
Leishmania major eukaryotic initiation factor 4a, putative 0.0098 0.1222 0.1128
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0098 0.1222 0.1128
Giardia lamblia Transcriptional regulator, Sir2 family 0.0097 0.1199 0.0777
Loa Loa (eye worm) histone deacetylase 7A 0.0204 0.365 0.3742
Echinococcus multilocularis histone deacetylase 8 0.0123 0.1785 0.183
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Trypanosoma cruzi cysteine proteinase, putative 0.0061 0.038 0.0253
Loa Loa (eye worm) hypothetical protein 0.0121 0.1741 0.1785
Echinococcus multilocularis histone deacetylase 0.0204 0.365 0.3742
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0121 0.1741 0.1785
Onchocerca volvulus Histone deacetylase 10 homolog 0.0123 0.1785 0.9371
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Trypanosoma cruzi histone deacetylase, putative 0.0204 0.365 0.3653
Entamoeba histolytica cysteine proteinase, putative 0.0078 0.0772 0.0418
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0061 0.038 0.039
Leishmania major histone deacetylase, putative 0.0204 0.365 0.3653
Brugia malayi Histone deacetylase family protein 0.0204 0.365 0.3742
Plasmodium falciparum transcriptional regulatory protein sir2a 0.0097 0.1199 0.1274
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0115 0.1611 0.1314
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0115 0.1611 0.1314
Trypanosoma cruzi cruzipain precursor, putative 0.0115 0.1611 0.1533
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.6807 0.6857
Echinococcus granulosus histone deacetylase 6 0.0204 0.365 0.3742
Brugia malayi Animal haem peroxidase family protein 0.0067 0.05 0.0513
Schistosoma mansoni histone deacetylase 0.0343 0.6807 0.6979
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0098 0.1222 0.1128
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0098 0.1222 0.1128
Schistosoma mansoni chromatin regulatory protein sir2 0.0472 0.9754 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0772 0.0791
Brugia malayi Cathepsin L-like precursor 0.0078 0.0772 0.0791
Toxoplasma gondii histone deacetylase SIR2-like 0.0097 0.1199 0.1139
Loa Loa (eye worm) hypothetical protein 0.0123 0.1785 0.183
Loa Loa (eye worm) transcriptional regulator 0.0097 0.1199 0.1229
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0078 0.0772 0.0418
Mycobacterium ulcerans esterase/lipase LipP 0.0075 0.0703 0.1416
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.6807 0.6857
Loa Loa (eye worm) animal heme peroxidase 0.0067 0.05 0.0513
Brugia malayi transcriptional regulator, Sir2 family protein 0.0097 0.1199 0.1229
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0311 0.6089 0.6091
Trypanosoma cruzi cysteine peptidase, putative 0.0115 0.1611 0.1533
Onchocerca volvulus 0.0075 0.0703 0.3045
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Trichomonas vaginalis esterase, putative 0.0075 0.0703 0.0345
Plasmodium vivax histone deacetylase 1, putative 0.0343 0.6807 1
Onchocerca volvulus Cathepsin L homolog 0.0115 0.1611 0.8356
Schistosoma mansoni lipoxygenase 0.0085 0.0924 0.0947
Trypanosoma cruzi histone deacetylase, putative 0.0123 0.1785 0.1713
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Brugia malayi Peroxidasin 0.0067 0.05 0.0513
Plasmodium falciparum transcriptional regulatory protein sir2b 0.0097 0.1199 0.1274
Onchocerca volvulus Dual oxidase homolog 0.0067 0.05 0.1857
Brugia malayi histone deacetylase 11 0.0123 0.1785 0.183
Brugia malayi beta-lactamase family protein 0.0075 0.0703 0.0721
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.6807 0.6857
Schistosoma mansoni chromatin regulatory protein sir2 0.0097 0.1199 0.1229
Brugia malayi Animal haem peroxidase family protein 0.0067 0.05 0.0513
Toxoplasma gondii ABC1 family protein 0.0075 0.0703 0.0356
Loa Loa (eye worm) fibroinase 0.0115 0.1611 0.1652
Trypanosoma brucei prolyl endopeptidase 0.0128 0.1892 0.1825
Giardia lamblia Hypothetical protein 0.0472 0.9754 1
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0226 0.4136 0.5
Plasmodium vivax histone deacetylase, putative 0.0123 0.1785 0.2185
Loa Loa (eye worm) hypothetical protein 0.0075 0.0703 0.0721
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0311 0.6089 0.605
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0075 0.0703 0.0574
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0128 0.1892 0.194
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0098 0.1222 0.0802
Loa Loa (eye worm) animal heme peroxidase 0.0067 0.05 0.0513
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0115 0.1611 0.1314
Brugia malayi Animal haem peroxidase family protein 0.0067 0.05 0.0513
Mycobacterium tuberculosis Probable esterase LipL 0.0075 0.0703 0.0574
Toxoplasma gondii PAN domain-containing protein 0.0293 0.5675 0.8212
Brugia malayi Cathepsin L-like precursor 0.0115 0.1611 0.1652
Echinococcus granulosus peroxidasin 0.0067 0.05 0.0513
Echinococcus granulosus cathepsin l cysteine peptidase 0.0115 0.1611 0.1652
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0053 0.0183 0.0187
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0157 0.2571 0.2636
Echinococcus granulosus cathepsin L cysteine proteinase 0.0115 0.1611 0.1652
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0098 0.1222 0.11
Loa Loa (eye worm) transcriptional regulator 0.0097 0.1199 0.1229
Echinococcus granulosus histone deacetylase 8 0.0123 0.1785 0.183
Schistosoma mansoni peroxidasin 0.0067 0.05 0.0513
Loa Loa (eye worm) hypothetical protein 0.0078 0.0772 0.0791
Loa Loa (eye worm) hypothetical protein 0.0121 0.1741 0.1785
Loa Loa (eye worm) hypothetical protein 0.0067 0.05 0.0513
Onchocerca volvulus Cathepsin L homolog 0.0115 0.1611 0.8356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0115 0.1611 0.1314
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0097 0.1199 0.0874
Trichomonas vaginalis histone deacetylase, putative 0.0343 0.6807 0.6857
Entamoeba histolytica cysteine proteinase, putative 0.0115 0.1611 0.1314
Echinococcus granulosus eukaryotic initiation factor 4A 0.0098 0.1222 0.1253
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0115 0.1611 0.1533
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0053 0.0183 0.0187
Echinococcus granulosus histone deacetylase 0.0204 0.365 0.3742

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 100 uM Cytotoxicity against HSC4 cells ChEMBL. 17383883
CC50 (functional) = 100 uM Cytotoxicity against HSC4 cells ChEMBL. 17383883
CC50 (functional) = 116 uM Cytotoxicity against HSC2 cells ChEMBL. 17383883
CC50 (functional) = 116 uM Cytotoxicity against HSC2 cells ChEMBL. 17383883
CC50 (ADMET) = 198 uM Cytotoxicity against HPC cells ChEMBL. 17383883
CC50 (ADMET) = 256 uM Cytotoxicity against HGF cells ChEMBL. 17383883
CC50 (functional) = 266 uM Cytotoxicity against human HL60 cells ChEMBL. 17383883
CC50 (functional) = 266 uM Cytotoxicity against human HL60 cells ChEMBL. 17383883
CC50 (functional) = 279 uM Cytotoxicity against HSC3 cells ChEMBL. 17383883
CC50 (functional) = 279 uM Cytotoxicity against HSC3 cells ChEMBL. 17383883
CC50 (ADMET) = 370 uM Cytotoxicity against HPLF cells ChEMBL. 17383883

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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