Detailed information for compound 1340664

Basic information

Technical information
  • TDR Targets ID: 1340664
  • Name: 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(p yridin-3-ylmethyl)benzenesulfonamide
  • MW: 462.586 | Formula: C21H26N4O4S2
  • H donors: 0 H acceptors: 6 LogP: 1.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CCCN(S(=O)(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)Cc1cccnc1
  • InChi: 1S/C21H26N4O4S2/c22-12-6-16-25(18-19-7-5-13-23-17-19)31(28,29)21-10-8-20(9-11-21)30(26,27)24-14-3-1-2-4-15-24/h5,7-11,13,17H,1-4,6,14-16,18H2
  • InChiKey: DJJPOGRAVWZILB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(azepan-1-ylsulfonyl)-N-(2-cyanoethyl)-N-(3-pyridylmethyl)benzenesulfonamide
  • 4-(1-azepanylsulfonyl)-N-(2-cyanoethyl)-N-(3-pyridylmethyl)benzenesulfonamide
  • ASN 04364155
  • Oprea1_482557
  • 4-(Azepane-1-sulfonyl)-N-(2-cyano-ethyl)-N-pyridin-3-ylmethyl-benzenesulfonamide
  • MLS000033295
  • SMR000003151
  • MLS000880517
  • Oprea1_824225

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Schistosoma mansoni Thioredoxin glutathione reductase Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma cruzi trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium knowlesi thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania donovani trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma congolense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium berghei thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Babesia bovis thiodoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium vivax glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium falciparum glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania braziliensis trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans similar to S. cerevisiae GLR1 (YPL091W) glutathione oxidoreductase Get druggable targets OG5_126785 All targets in OG5_126785
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium vivax thioredoxin reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus multilocularis thioredoxin glutathione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum MGC84926 protein, related Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium berghei glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Plasmodium knowlesi glutathione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Toxoplasma gondii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Trypanosoma brucei gambiense trypanothione reductase, putative Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania major trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium hominis thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00384 thioredoxin reductase (NADPH) [EC1.8.1.9], putative Get druggable targets OG5_126785 All targets in OG5_126785
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum trypanothione reductase Get druggable targets OG5_126785 All targets in OG5_126785
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum Glutathione reductase, related Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Cryptosporidium parvum thioredoxin reductase 1 Get druggable targets OG5_126785 All targets in OG5_126785
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii thioredoxin reductase Get druggable targets OG5_126785 All targets in OG5_126785
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Neospora caninum hypothetical protein Thioredoxin glutathione reductase   598 aa 485 aa 30.5 %
Plasmodium yoelii dihydrolipoamide dehydrogenase Thioredoxin glutathione reductase   598 aa 537 aa 24.2 %
Toxoplasma gondii NADPH-glutathione reductase Thioredoxin glutathione reductase   598 aa 555 aa 33.5 %
Plasmodium berghei dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 538 aa 25.3 %
Neospora caninum glutathione reductase, putative Thioredoxin glutathione reductase   598 aa 532 aa 34.6 %
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 521 aa 21.5 %
Onchocerca volvulus Thioredoxin glutathione reductase   598 aa 533 aa 50.8 %
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast Thioredoxin glutathione reductase   598 aa 513 aa 25.0 %
Neospora caninum Dihydrolipoyl dehydrogenase (EC 1.8.1.4), related Thioredoxin glutathione reductase   598 aa 512 aa 28.3 %
Plasmodium knowlesi dihydrolipoyl dehydrogenase, apicoplast, putative Thioredoxin glutathione reductase   598 aa 518 aa 22.0 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.4742 0.9568
Brugia malayi Cathepsin L-like precursor 0.0026 0.0341 0.072
Echinococcus multilocularis cathepsin b 0.0141 0.4742 1
Echinococcus multilocularis lamin dm0 0.0033 0.0592 0.1249
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0341 0.5
Echinococcus granulosus cathepsin L cysteine proteinase 0.0026 0.0341 0.072
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1011 0.2132
Brugia malayi cathepsin B-like cysteine proteinase 0.0141 0.4742 1
Onchocerca volvulus 0.0033 0.0592 0.5859
Plasmodium vivax vivapain-2 0.0026 0.0341 0.3115
Onchocerca volvulus 0.0026 0.0341 0.3375
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0026 0.0341 0.3115
Loa Loa (eye worm) hypothetical protein 0.0043 0.1011 0.2132
Giardia lamblia Cathepsin B precursor 0.005 0.128 0.5
Mycobacterium tuberculosis Probable reductase 0.0104 0.3341 0.2592
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1011 0.7133
Brugia malayi Cathepsin L-like precursor 0.0026 0.0341 0.072
Leishmania major cathepsin L-like protease 0.0026 0.0341 0.1583
Loa Loa (eye worm) hypothetical protein 0.0026 0.0341 0.072
Echinococcus multilocularis cathepsin b 0.0141 0.4742 1
Leishmania major cathepsin L-like protease 0.0026 0.0341 0.1583
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.2156 0.1274
Schistosoma mansoni intermediate filament proteins 0.0033 0.0592 0.1195
Plasmodium falciparum thioredoxin reductase 0.0046 0.1096 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0141 0.4742 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0592 0.1249
Loa Loa (eye worm) hypothetical protein 0.0043 0.1011 0.2132
Plasmodium falciparum cysteine proteinase falcipain 3 0.0026 0.0341 0.3115
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1011 0.7133
Onchocerca volvulus 0.0026 0.0341 0.3375
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1011 0.204
Echinococcus multilocularis cysteine protease 0.0026 0.0341 0.072
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.3341 0.2592
Brugia malayi cathepsin L-like precursor 0.0026 0.0341 0.072
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1096 0.231
Loa Loa (eye worm) beta-lactamase 0.0043 0.1011 0.2132
Loa Loa (eye worm) glutathione reductase 0.0046 0.1096 0.231
Loa Loa (eye worm) hypothetical protein 0.0043 0.1011 0.2132
Leishmania major cathepsin L-like protease 0.0026 0.0341 0.1583
Brugia malayi Thioredoxin reductase 0.0046 0.1096 0.231
Leishmania major hypothetical protein, conserved 0.0043 0.1011 0.4689
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0012 0.0026
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0341 0.072
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0341 0.3375
Brugia malayi Cathepsin L-like precursor 0.0026 0.0341 0.072
Brugia malayi Cathepsin L-like precursor 0.0026 0.0341 0.072
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3787 0.3088
Onchocerca volvulus 0.0026 0.0341 0.3375
Loa Loa (eye worm) hypothetical protein 0.0043 0.1011 0.2132
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0341 0.072
Loa Loa (eye worm) hypothetical protein 0.0043 0.1011 0.2132
Brugia malayi Cathepsin L-like cysteine proteinase 0.0026 0.0341 0.072
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0341 0.0689
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0012 0.0026
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1096 1
Loa Loa (eye worm) cysteine protease 0.0026 0.0341 0.072
Loa Loa (eye worm) ctsf protein 0.0026 0.0341 0.072
Brugia malayi Cathepsin L-like precursor 0.0026 0.0341 0.072
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3787 0.3088
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0592 0.1249
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.3341 0.2592
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1011 0.7133
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.005 0.128 0.5938
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.005 0.128 0.27
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0141 0.4742 0.9568
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0026 0.0341 0.072
Leishmania major cathepsin L-like protease 0.0026 0.0341 0.1583
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1011 0.7133
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1011 0.7133
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1011 0.7133
Echinococcus granulosus lamin 0.0033 0.0592 0.1249
Plasmodium vivax vivapain-2 0.0026 0.0341 0.3115
Plasmodium vivax glutathione reductase, putative 0.0046 0.1096 1
Brugia malayi intermediate filament protein 0.0033 0.0592 0.1249
Onchocerca volvulus 0.0043 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.4742 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1011 0.2132
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2156 0.4351
Onchocerca volvulus 0.0026 0.0341 0.3375
Onchocerca volvulus 0.0026 0.0341 0.3375
Trypanosoma brucei cysteine peptidase C (CPC) 0.005 0.128 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0341 0.072
Trypanosoma brucei trypanothione reductase 0.0046 0.1096 0.8033
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0341 0.5
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.3341 0.8393
Brugia malayi Papain family cysteine protease containing protein 0.0026 0.0341 0.072
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.2156 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0026 0.0341 0.3115
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1011 0.204
Brugia malayi Cathepsin L-like precursor 0.0026 0.0341 0.072
Brugia malayi Cathepsin L-like precursor 0.0026 0.0341 0.072
Echinococcus granulosus cathepsin b 0.0141 0.4742 1
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0341 0.072
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.4742 0.9568
Giardia lamblia Cathepsin B precursor 0.005 0.128 0.5
Trypanosoma cruzi cruzipain precursor, putative 0.0026 0.0341 0.072
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1119 0.236
Leishmania major cathepsin L-like protease 0.0026 0.0341 0.1583
Echinococcus multilocularis musashi 0.0033 0.0592 0.1249
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.2156 0.4547
Onchocerca volvulus 0.0026 0.0341 0.3375
Loa Loa (eye worm) hypothetical protein 0.0032 0.057 0.1201
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.3341 0.2592
Leishmania major cathepsin L-like protease 0.0026 0.0341 0.1583
Echinococcus granulosus cathepsin l1 0.0026 0.0341 0.072
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3787 0.3088
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0341 0.072
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0341 0.0689
Onchocerca volvulus 0.0043 0.1011 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.4742 0.9568
Leishmania major cathepsin L-like protease 0.0026 0.0341 0.1583
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1011 0.2132
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.2156 0.4351
Echinococcus granulosus cathepsin b 0.0141 0.4742 1
Brugia malayi beta-lactamase family protein 0.0043 0.1011 0.2132
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0026 0.0341 0.072
Brugia malayi glutathione reductase 0.0046 0.1096 0.231
Trichomonas vaginalis esterase, putative 0.0043 0.1011 0.7133
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2156 1
Entamoeba histolytica cysteine protease, putative 0.0026 0.0341 0.5
Brugia malayi Cathepsin L-like precursor 0.0026 0.0341 0.072
Toxoplasma gondii cathepsin B 0.005 0.128 0.5938
Echinococcus granulosus cathepsin l1 0.0026 0.0341 0.072
Loa Loa (eye worm) hypothetical protein 0.0033 0.0592 0.1249
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1119 0.236
Onchocerca volvulus 0.0043 0.1011 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0341 0.072
Leishmania major cysteine peptidase A (CPA) 0.0026 0.0341 0.1583
Brugia malayi beta-lactamase 0.0043 0.1011 0.2132
Leishmania major cathepsin L-like protease 0.0026 0.0341 0.1583
Echinococcus granulosus cathepsin l cysteine peptidase 0.0026 0.0341 0.072
Onchocerca volvulus 0.0026 0.0341 0.3375
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.3341 0.2592
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1011 0.2132
Loa Loa (eye worm) hypothetical protein 0.0043 0.1011 0.2132
Echinococcus multilocularis lamin 0.0033 0.0592 0.1249
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0341 0.072
Entamoeba histolytica cysteine proteinase, putative 0.0026 0.0341 0.5
Onchocerca volvulus 0.0033 0.0592 0.5859
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1011 0.2132
Toxoplasma gondii thioredoxin reductase 0.0046 0.1096 0.5081
Schistosoma mansoni lamin 0.0033 0.0592 0.1195
Loa Loa (eye worm) cathepsin B 0.005 0.128 0.27
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.005 0.128 1
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1096 0.231
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0592 0.1249
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.2156 0.4547
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.2156 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1011 0.2132
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0026 0.0341 0.072
Schistosoma mansoni lamin 0.0033 0.0592 0.1195
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2156 1
Brugia malayi beta-lactamase family protein 0.0043 0.1011 0.2132
Onchocerca volvulus 0.0026 0.0341 0.3375
Loa Loa (eye worm) fibroinase 0.0026 0.0341 0.072
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1096 0.0094
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3787 1
Echinococcus granulosus lamin dm0 0.0033 0.0592 0.1249
Giardia lamblia Cathepsin B precursor 0.005 0.128 0.5
Echinococcus multilocularis cathepsin L cysteine protease 0.0026 0.0341 0.072
Toxoplasma gondii ABC1 family protein 0.0043 0.1011 0.4689
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.2156 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1011 0.9229
Schistosoma mansoni cathepsin F (C01 family) 0.0026 0.0341 0.0689
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.005 0.128 0.2584
Onchocerca volvulus Cathepsin F homolog 0.0026 0.0341 0.3375
Leishmania major trypanothione reductase 0.0046 0.1096 0.5081
Echinococcus multilocularis cysteine protease 0.0026 0.0341 0.072
Trypanosoma cruzi cysteine peptidase, putative 0.0026 0.0341 0.072
Onchocerca volvulus Cathepsin L homolog 0.0026 0.0341 0.3375
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.3341 0.2592
Plasmodium falciparum glutathione reductase 0.0046 0.1096 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0341 0.072
Echinococcus granulosus intermediate filament protein 0.0033 0.0592 0.1249
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0026 0.0341 0.072
Toxoplasma gondii cathepsin CPL 0.0026 0.0341 0.1583

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.5623 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference

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

No literature references available for this target.

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