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

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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