Detailed information for compound 177727

Basic information

Technical information
  • TDR Targets ID: 177727
  • Name: 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmet hoxy]ethyl]-6-(4-propan-2-yloxyphenyl)sulfany lpurin-2-amine
  • MW: 603.475 | Formula: C21H24F6N5O5PS
  • H donors: 1 H acceptors: 4 LogP: 4.24 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(Oc1ccc(cc1)Sc1nc(N)nc2c1ncn2CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)C
  • InChi: 1S/C21H24F6N5O5PS/c1-13(2)37-14-3-5-15(6-4-14)39-18-16-17(30-19(28)31-18)32(11-29-16)7-8-34-12-38(33,35-9-20(22,23)24)36-10-21(25,26)27/h3-6,11,13H,7-10,12H2,1-2H3,(H2,28,30,31)
  • InChiKey: JRPGEIHUAYYKFJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-(4-isopropoxyphenyl)sulfanyl-purin-2-amine
  • 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-[(4-isopropoxyphenyl)thio]-2-purinamine
  • 9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-(4-propan-2-yloxyphenyl)sulfanyl-purin-2-amine
  • [9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-[(4-isopropoxyphenyl)thio]purin-2-yl]amine
  • AIDS-122320
  • AIDS122320
  • Phosphonic acid, [[2-[2-amino-6-[[4-(1-methylethoxy)phenyl]thio]-9H-purin-9-yl]ethoxy]methyl]-, bis(2,2,2-trifluoroethyl) ester

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
Plasmodium vivax vivapain-2 0.0266 0.8552 1
Schistosoma mansoni cpg binding protein 0.0023 0.0197 0.0166
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0052 0.1209 0.1209
Echinococcus granulosus disco interacting protein 2 0.0027 0.034 0.0333
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0019 0.0056 0.0066
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1209 0.1356
Brugia malayi TAR-binding protein 0.0088 0.2422 0.2422
Plasmodium falciparum serine repeat antigen 3 0.0052 0.1209 0.1413
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0052 0.1209 0.1209
Entamoeba histolytica cysteine proteinase, putative 0.0139 0.4185 0.486
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0052 0.1209 0.1356
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.003 0.0417 0.0488
Toxoplasma gondii cathepsin CPL 0.0266 0.8552 1
Giardia lamblia Cathepsin B precursor 0.0095 0.2666 1
Loa Loa (eye worm) alcohol dehydrogenase class III 0.0156 0.4777 0.4777
Brugia malayi cathepsin B-like cysteine proteinase 0.0189 0.592 0.592
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.8552 1
Entamoeba histolytica cysteine protease, putative 0.0052 0.1209 0.1356
Loa Loa (eye worm) hypothetical protein 0.0179 0.5575 0.5575
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0052 0.1209 0.1356
Toxoplasma gondii preprocathepsin c precursor, putative 0.0052 0.1209 0.1413
Onchocerca volvulus 0.0266 0.8552 0.8543
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0036 0.064 0.0748
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0019 0.0056 0.0066
Toxoplasma gondii type I fatty acid synthase, putative 0.002 0.008 0.0093
Leishmania major cathepsin L-like protease 0.0266 0.8552 1
Schistosoma mansoni tar DNA-binding protein 0.0088 0.2422 0.2785
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Loa Loa (eye worm) hypothetical protein 0.0308 1 1
Trypanosoma cruzi cruzipain precursor, putative 0.0086 0.2378 0.2781
Mycobacterium ulcerans hypothetical protein 0.0111 0.3208 0.6676
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Echinococcus multilocularis tar DNA binding protein 0.0088 0.2422 0.2785
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.8552 1
Wolbachia endosymbiont of Brugia malayi NADPH:quinone reductase 0.0019 0.0056 0.5
Onchocerca volvulus 0.0266 0.8552 0.8543
Schistosoma mansoni cpg binding protein 0.0023 0.0197 0.0166
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1209 0.1356
Echinococcus multilocularis cysteine protease 0.0266 0.8552 1
Trypanosoma brucei oxidoreductase, putative 0.0019 0.0056 0.0066
Brugia malayi cathepsin L precursor 0.0052 0.1209 0.1209
Echinococcus multilocularis Protein lozenge 0.0039 0.0731 0.0794
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0189 0.592 0.6903
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0086 0.2378 0.2378
Schistosoma mansoni alcohol dehydrogenase 0.0156 0.4777 0.5557
Schistosoma mansoni tar DNA-binding protein 0.0088 0.2422 0.2785
Echinococcus granulosus cathepsin b 0.0189 0.592 0.6903
Trypanosoma cruzi oxidoreductase, putative 0.0019 0.0056 0.0066
Brugia malayi Cathepsin L-like cysteine proteinase 0.0179 0.5575 0.5575
Entamoeba histolytica cysteine proteinase, putative 0.0266 0.8552 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0115 0.0069
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0052 0.1209 0.1356
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.1209 0.1413
Loa Loa (eye worm) hypothetical protein 0.0179 0.5575 0.5575
Echinococcus granulosus cathepsin L 0.0052 0.1209 0.1356
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Onchocerca volvulus 0.0165 0.5069 0.5041
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Plasmodium vivax vivapain-3 0.0139 0.4185 0.4894
Plasmodium falciparum cysteine proteinase falcipain 3 0.0266 0.8552 1
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.1209 0.1209
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0019 0.0056 0.0066
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1209 0.1356
Toxoplasma gondii hypothetical protein 0.0058 0.1412 0.1651
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0266 0.8552 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.002 0.0089 0.0038
Loa Loa (eye worm) hypothetical protein 0.0021 0.0115 0.0115
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.021 0.6628 0.7751
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0266 0.8552 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.8552 1
Plasmodium falciparum serine repeat antigen 7 0.0052 0.1209 0.1413
Brugia malayi fibroinase precursor 0.0052 0.1209 0.1209
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0052 0.1209 0.1413
Loa Loa (eye worm) RNA binding protein 0.0088 0.2422 0.2422
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Brugia malayi Calcitonin receptor-like protein seb-1 0.0034 0.0586 0.0586
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Trypanosoma cruzi cysteine peptidase, putative 0.0266 0.8552 1
Echinococcus granulosus cpg binding protein 0.0023 0.0197 0.0166
Entamoeba histolytica cysteine proteinase, putative 0.0139 0.4185 0.486
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0099 0.2821 0.3299
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0052 0.1209 0.1356
Entamoeba histolytica cysteine protease, putative 0.0052 0.1209 0.1356
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0052 0.1209 0.1413
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Leishmania major zinc binding dehydrogenase-like protein 0.0019 0.0056 0.0066
Brugia malayi Cathepsin L-like precursor 0.0086 0.2378 0.2378
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.1209 0.1356
Onchocerca volvulus 0.0023 0.0197 0.0142
Echinococcus granulosus tar DNA binding protein 0.0088 0.2422 0.2785
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.8552 1
Echinococcus granulosus cysteine protease 0.0139 0.4185 0.486
Giardia lamblia Cathepsin B precursor 0.0095 0.2666 1
Loa Loa (eye worm) ctsf protein 0.0266 0.8552 0.8552
Trypanosoma cruzi cysteine peptidase, putative 0.0266 0.8552 1
Brugia malayi Papain family cysteine protease containing protein 0.0139 0.4185 0.4185
Mycobacterium ulcerans zinc-type alcohol dehydrogenase AdhD 0.0156 0.4777 1
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.1209 0.1209
Onchocerca volvulus 0.0266 0.8552 0.8543
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.8552 1
Plasmodium falciparum serine repeat antigen 8 0.0052 0.1209 0.1413
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Schistosoma mansoni cathepsin C 0.0052 0.1209 0.1356
Loa Loa (eye worm) hypothetical protein 0.0266 0.8552 0.8552
Onchocerca volvulus Cathepsin F homolog 0.0266 0.8552 0.8543
Plasmodium falciparum cysteine proteinase falcipain 1 0.0139 0.4185 0.4894
Plasmodium vivax unspecified product 0.0052 0.1209 0.1413
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0052 0.1209 0.1356
Echinococcus granulosus cathepsin b 0.0189 0.592 0.6903
Entamoeba histolytica cysteine proteinase, putative 0.0266 0.8552 1
Plasmodium vivax SET domain protein, putative 0.0021 0.0115 0.0135
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0021 0.0115 0.0069
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0189 0.592 0.6903
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.1209 0.1356
Toxoplasma gondii hypothetical protein 0.0034 0.0567 0.0663
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.8552 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0095 0.2666 0.3117
Loa Loa (eye worm) hypothetical protein 0.0086 0.2378 0.2378
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Leishmania major cathepsin L-like protease 0.0266 0.8552 1
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0052 0.1209 0.1413
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0115 0.0069
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1209 0.1356
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Brugia malayi CXXC zinc finger family protein 0.0023 0.0197 0.0197
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0052 0.1209 0.1209
Loa Loa (eye worm) hypothetical protein 0.0052 0.1209 0.1209
Entamoeba histolytica cysteine proteinase 1, putative 0.0139 0.4185 0.486
Brugia malayi latrophilin 2 splice variant baaae 0.0024 0.0211 0.0211
Plasmodium falciparum serine repeat antigen 1 0.0052 0.1209 0.1413
Loa Loa (eye worm) cysteine protease 0.0266 0.8552 0.8552
Trypanosoma brucei cysteine peptidase C (CPC) 0.0095 0.2666 0.3117
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0095 0.2666 0.3072
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0021 0.0115 0.0135
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0139 0.4185 0.4894
Brugia malayi Papain family cysteine protease containing protein 0.0139 0.4185 0.4185
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Brugia malayi cathepsin L-like cysteine proteinase 0.0052 0.1209 0.1209
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0052 0.1209 0.1413
Plasmodium vivax serine-repeat antigen (SERA) 0.0052 0.1209 0.1413
Loa Loa (eye worm) hypothetical protein 0.0052 0.1209 0.1209
Leishmania major d-xylulose reductase, putative 0.0019 0.0056 0.0066
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.5575 0.6496
Trypanosoma brucei DNA polymerase beta thumb, putative 0.003 0.0417 0.0488
Brugia malayi Cathepsin L-like precursor 0.0179 0.5575 0.5575
Brugia malayi Cathepsin L-like precursor 0.0266 0.8552 0.8552
Toxoplasma gondii cathepsin CPC1 0.0052 0.1209 0.1413
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Toxoplasma gondii cathepsin CPC2 0.0052 0.1209 0.1413
Echinococcus multilocularis cpg binding protein 0.0023 0.0197 0.0166
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0115 0.0069
Plasmodium vivax serine-repeat antigen (SERA) 0.0052 0.1209 0.1413
Onchocerca volvulus 0.0179 0.5575 0.555
Schistosoma mansoni cathepsin S (C01 family) 0.0052 0.1209 0.1356
Leishmania major mitochondrial DNA polymerase beta 0.021 0.6628 0.7751
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0052 0.1209 0.1356
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0052 0.1209 0.1413
Echinococcus granulosus cathepsin l1 0.0266 0.8552 1
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0266 0.8552 1
Brugia malayi Disco-interacting protein 2 homolog 0.0027 0.0316 0.0316
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0027 0.034 0.0333
Onchocerca volvulus 0.0021 0.0115 0.0059
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0052 0.1209 0.1356
Schistosoma mansoni cathepsin F (C01 family) 0.0179 0.5575 0.6496
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Giardia lamblia Cathepsin B precursor 0.0095 0.2666 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0115 0.0069
Brugia malayi cathepsin F-like cysteine proteinase 0.0052 0.1209 0.1209
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0019 0.0056 0.0066
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0052 0.1209 0.1413
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Brugia malayi RNA binding protein 0.0088 0.2422 0.2422
Mycobacterium leprae Probable S-nitrosomycothiol reductase MscR 0.0156 0.4777 1
Brugia malayi cathepsin Z-like cysteine proteinase 0.0052 0.1209 0.1209
Loa Loa (eye worm) hypothetical protein 0.0019 0.0056 0.0056
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase AdhD (aldehyde reductase) 0.0156 0.4777 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Onchocerca volvulus Cathepsin L homolog 0.0052 0.1209 0.1159
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0021 0.0115 0.0069
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Loa Loa (eye worm) hypothetical protein 0.0024 0.0211 0.0211
Schistosoma mansoni tar DNA-binding protein 0.0088 0.2422 0.2785
Trypanosoma cruzi major cysteine proteinase, putative 0.0052 0.1209 0.1413
Loa Loa (eye worm) CXXC zinc finger family protein 0.0023 0.0197 0.0197
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0266 0.8552 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0179 0.5575 0.6519
Brugia malayi Pre-SET motif family protein 0.0021 0.0115 0.0115
Trypanosoma cruzi cysteine peptidase, putative 0.0086 0.2378 0.2781
Brugia malayi Cathepsin L-like precursor 0.0266 0.8552 0.8552
Entamoeba histolytica cysteine proteinase 2 0.0139 0.4185 0.486
Echinococcus multilocularis disco interacting protein 2 0.0027 0.034 0.0333
Loa Loa (eye worm) hypothetical protein 0.0052 0.1209 0.1209
Leishmania major cathepsin L-like protease 0.0266 0.8552 1
Onchocerca volvulus Cathepsin L homolog 0.0266 0.8552 0.8543
Trypanosoma cruzi cysteine peptidase, putative 0.0266 0.8552 1
Mycobacterium tuberculosis Probable zinc-type alcohol dehydrogenase (E subunit) AdhE1 0.0137 0.4121 0.8612
Brugia malayi RNA recognition motif domain containing protein 0.0088 0.2422 0.2422
Loa Loa (eye worm) hypothetical protein 0.0019 0.0056 0.0056
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Leishmania major oxidoreductase-like protein 0.0019 0.0056 0.0066
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0266 0.8552 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0266 0.8552 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1209 0.1209
Plasmodium vivax unspecified product 0.0139 0.4185 0.4894
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0052 0.1209 0.1356
Brugia malayi Cathepsin L-like precursor 0.0266 0.8552 0.8552
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Schistosoma mansoni tar DNA-binding protein 0.0088 0.2422 0.2785
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.003 0.0417 0.0488
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase 0.0156 0.4777 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.021 0.6628 0.7751
Entamoeba histolytica cysteine proteinase, putative 0.0139 0.4185 0.486
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0019 0.0056 0.0056
Brugia malayi cathepsin Z-like cysteine proteinase 0.0052 0.1209 0.1209
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Loa Loa (eye worm) hypothetical protein 0.0019 0.0056 0.0056
Schistosoma mansoni cathepsin F (C01 family) 0.0266 0.8552 1
Schistosoma mansoni cathepsin B (C01 family) 0.0052 0.1209 0.1356
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0139 0.4185 0.486
Schistosoma mansoni tar DNA-binding protein 0.0088 0.2422 0.2785
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0139 0.4185 0.486
Trypanosoma cruzi nuclear receptor binding factor, putative 0.0019 0.0056 0.0066
Plasmodium vivax vivapain-1 0.0139 0.4185 0.4894
Trypanosoma cruzi cysteine proteinase, putative 0.0139 0.4185 0.4894
Schistosoma mansoni lozenge 0.0039 0.0731 0.0794
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Plasmodium falciparum serine repeat antigen 2 0.0052 0.1209 0.1413
Echinococcus granulosus cathepsin L cysteine protease 0.0139 0.4185 0.486
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0052 0.1209 0.1413
Trypanosoma cruzi NADP-dependent alcohol hydrogenase, putative 0.0019 0.0056 0.0066
Brugia malayi Papain family cysteine protease containing protein 0.0266 0.8552 0.8552
Schistosoma mansoni cathepsin s 0.0086 0.2378 0.2733
Leishmania major cathepsin L-like protease 0.0266 0.8552 1
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0052 0.1209 0.1356
Leishmania major oxidoreductase, putative 0.0019 0.0056 0.0066
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0266 0.8552 0.8552
Brugia malayi Pre-SET motif family protein 0.0145 0.4381 0.4381
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0052 0.1209 0.1209
Toxoplasma gondii cathepsin B 0.0095 0.2666 0.3117
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0052 0.1209 0.1413
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.003 0.0417 0.0488
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0189 0.592 0.6903
Echinococcus multilocularis cathepsin L cysteine protease 0.0266 0.8552 1
Entamoeba histolytica cysteine proteinase, putative 0.0139 0.4185 0.486
Brugia malayi oxidoreductase, zinc-binding dehydrogenase family protein 0.0019 0.0056 0.0056
Loa Loa (eye worm) fibroinase 0.0266 0.8552 0.8552
Echinococcus granulosus cathepsin l cysteine peptidase 0.0266 0.8552 1
Entamoeba histolytica cysteine protease, putative 0.0266 0.8552 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1209 0.1209
Plasmodium falciparum serine repeat antigen 6 0.0052 0.1209 0.1413
Leishmania major cathepsin L-like protease 0.0266 0.8552 1
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0052 0.1209 0.1356
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0052 0.1209 0.1413
Trypanosoma cruzi oxidoreductase, putative 0.0019 0.0056 0.0066
Leishmania major cysteine peptidase A (CPA) 0.0266 0.8552 1
Brugia malayi cathepsin L-like cysteine proteinase, identical 0.0086 0.2378 0.2378
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1209 0.1356
Brugia malayi Cathepsin L-like precursor 0.0266 0.8552 0.8552
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0052 0.1209 0.1356
Echinococcus granulosus cathepsin l1 0.0179 0.5575 0.6496
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.8552 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0034 0.0586 0.0586
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0115 0.0069
Plasmodium falciparum serine repeat antigen 5 0.0052 0.1209 0.1413
Entamoeba histolytica cysteine protease, putative 0.0052 0.1209 0.1356
Schistosoma mansoni cpg binding protein 0.0023 0.0197 0.0166
Leishmania major cathepsin L-like protease 0.0266 0.8552 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0316 0.0316
Loa Loa (eye worm) hypothetical protein 0.0086 0.2378 0.2378
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0189 0.592 0.6923
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0052 0.1209 0.1356
Brugia malayi Cathepsin L-like precursor 0.0266 0.8552 0.8552
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Entamoeba histolytica cysteine proteinase, putative 0.0179 0.5575 0.6496
Toxoplasma gondii Zn-containing alcohol dehydrogenase 0.0156 0.4777 0.5586
Brugia malayi cathepsin L-like precursor 0.0179 0.5575 0.5575
Schistosoma mansoni hypothetical protein 0.0024 0.0211 0.0182
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0052 0.1209 0.1356
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.8552 1
Loa Loa (eye worm) hypothetical protein 0.0052 0.1209 0.1209
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0266 0.8552 1
Leishmania major cathepsin L-like protease 0.0266 0.8552 1
Schistosoma mansoni cathepsin F (C01 family) 0.0266 0.8552 1
Entamoeba histolytica cysteine protease, putative 0.0052 0.1209 0.1356
Trichomonas vaginalis set domain proteins, putative 0.0165 0.5069 0.5901
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Trypanosoma cruzi cysteine protease, putative 0.0139 0.4185 0.4894
Entamoeba histolytica cysteine protease, putative 0.0052 0.1209 0.1356
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0099 0.2821 0.3299
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0034 0.0586 0.0586
Trypanosoma cruzi cysteine proteinase, putative 0.0139 0.4185 0.4894
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD-dependent AdhB 0.0156 0.4777 1
Loa Loa (eye worm) hypothetical protein 0.0308 1 1
Onchocerca volvulus 0.0266 0.8552 0.8543
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0139 0.4185 0.486
Trypanosoma brucei oxidoreductase, putative 0.0019 0.0056 0.0066
Trypanosoma cruzi cysteine peptidase, putative 0.0139 0.4185 0.4894
Leishmania major cathepsin L-like protease 0.0266 0.8552 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Trypanosoma cruzi cruzipain precursor, putative 0.0266 0.8552 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0139 0.4185 0.4894
Onchocerca volvulus 0.0266 0.8552 0.8543
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0095 0.2666 0.3117
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0058 0.1412 0.1651
Echinococcus multilocularis cathepsin L cysteine protease 0.0266 0.8552 1
Echinococcus granulosus cathepsin L 0.0139 0.4185 0.486
Brugia malayi Cathepsin L-like precursor 0.0266 0.8552 0.8552
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0088 0.2422 0.2422
Onchocerca volvulus 0.0266 0.8552 0.8543
Brugia malayi cathepsin F-like cysteine proteinase 0.0086 0.2378 0.2378
Plasmodium vivax vivapain-2 0.0266 0.8552 1
Loa Loa (eye worm) cathepsin B 0.0095 0.2666 0.2666
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0145 0.4381 0.4381
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0099 0.2821 0.3299
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1209 0.1356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0052 0.1209 0.1413
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0052 0.1209 0.1413
Loa Loa (eye worm) runx1 0.0039 0.0731 0.0731
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.021 0.6628 0.7751
Onchocerca volvulus 0.0266 0.8552 0.8543
Echinococcus multilocularis cathepsin b 0.0189 0.592 0.6903
Entamoeba histolytica cysteine protease, putative 0.0139 0.4185 0.486
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0139 0.4185 0.486
Echinococcus multilocularis cathepsin L 0.0052 0.1209 0.1356
Echinococcus multilocularis cysteine protease 0.0266 0.8552 1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0095 0.2666 0.3072
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0052 0.1209 0.1356
Mycobacterium ulcerans zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0156 0.4777 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0266 0.8552 1
Loa Loa (eye worm) hypothetical protein 0.0179 0.5575 0.5575
Loa Loa (eye worm) hypothetical protein 0.0189 0.592 0.592
Entamoeba histolytica cysteine protease, putative 0.0052 0.1209 0.1356
Onchocerca volvulus 0.0027 0.0316 0.0261
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0052 0.1209 0.1356
Loa Loa (eye worm) hypothetical protein 0.0086 0.2378 0.2378
Entamoeba histolytica hypothetical protein 0.0052 0.1209 0.1356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1209 0.1356
Mycobacterium ulcerans zinc-dependent alcohol dehydrogenase AdhE2 0.0156 0.4777 1
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0052 0.1209 0.1356
Brugia malayi Alcohol dehydrogenase class III 0.0156 0.4777 0.4777
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0052 0.1209 0.1413
Echinococcus multilocularis cathepsin b 0.0189 0.592 0.6903
Mycobacterium tuberculosis Conserved hypothetical protein 0.0111 0.3208 0.6676
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0052 0.1209 0.1356
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0052 0.1209 0.1356
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0266 0.8552 1
Toxoplasma gondii quinone oxidoreductase, putative 0.0019 0.0056 0.0066
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0052 0.1209 0.1356
Loa Loa (eye worm) hypothetical protein 0.0034 0.0586 0.0586
Brugia malayi Cathepsin L-like precursor 0.0179 0.5575 0.5575
Onchocerca volvulus 0.0052 0.1209 0.1159
Loa Loa (eye worm) TAR-binding protein 0.0088 0.2422 0.2422
Onchocerca volvulus 0.0308 1 1
Mycobacterium tuberculosis Possible zinc-containing alcohol dehydrogenase NAD dependent AdhB 0.0137 0.4121 0.8612
Plasmodium falciparum serine repeat antigen 4 0.0052 0.1209 0.1413
Leishmania major NADP-dependent alcohol dehydrogenase, putative 0.0019 0.0056 0.0066
Trypanosoma cruzi cysteine peptidase, putative 0.0266 0.8552 1
Echinococcus multilocularis cathepsin L 0.0139 0.4185 0.486
Plasmodium vivax unspecified product 0.0086 0.2378 0.2781
Brugia malayi Papain family cysteine protease containing protein 0.0052 0.1209 0.1209
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0052 0.1209 0.1413
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0266 0.8552 0.8552
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0139 0.4185 0.4894
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0179 0.5575 0.6496
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0139 0.4185 0.486
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0052 0.1209 0.1356
Plasmodium falciparum serine repeat antigen 9 0.0052 0.1209 0.1413
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0189 0.592 0.6903
Onchocerca volvulus Cathepsin L homolog 0.0266 0.8552 0.8543
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0052 0.1209 0.1356
Echinococcus granulosus cathepsin L cysteine proteinase 0.0266 0.8552 1
Leishmania major quinone oxidoreductase, putative 0.0019 0.0056 0.0066
Onchocerca volvulus Putative alcohol dehydrogenase 0.0156 0.4777 0.4747

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 350 uM Cytotoxic concentration of compound required for 50% extinction of HuH-6 cells ChEMBL. 12086499
IC50 (functional) = 0.29 uM Concentration required to inhibit 50% of cytoplasmic HBV-DNA synthesis ChEMBL. 12086499

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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