Detailed information for compound 327322

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 588.636 | Formula: C25H32N8O7S
  • H donors: 6 H acceptors: 9 LogP: 0.48 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 3
  • SMILES: CCNC(=O)[C@@H]1O[C@@H]([C@H]([C@@H]1O)O)n1cnc2c1ncnc2NC(=O)Nc1ccc(cc1)S(=O)(=O)NC1CCCCC1
  • InChi: 1S/C25H32N8O7S/c1-2-26-23(36)20-18(34)19(35)24(40-20)33-13-29-17-21(27-12-28-22(17)33)31-25(37)30-14-8-10-16(11-9-14)41(38,39)32-15-6-4-3-5-7-15/h8-13,15,18-20,24,32,34-35H,2-7H2,1H3,(H,26,36)(H2,27,28,30,31,37)/t18-,19+,20?,24-/m1/s1
  • InChiKey: DGSYKWLOYSOBQK-NNYGOGDTSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei calmodulin, putative 0.0054 0.004 0.0058
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.027 0.2767 0.2767
Schistosoma mansoni rab 0.0052 0.0022 0.0022
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.1602 0.5113
Echinococcus granulosus caspase 2 0.0059 0.0106 0.0084
Loa Loa (eye worm) calpain family protein 1 0.0527 0.6008 0.6008
Plasmodium falciparum cysteine proteinase falcipain 1 0.0103 0.0665 0.407
Toxoplasma gondii cathepsin CPC1 0.0053 0.0026 0.0013
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0053 0.0026 0.0026
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0297 0.3111 0.3111
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0768 0.905 0.9048
Brugia malayi Cathepsin L-like precursor 0.0178 0.1602 0.1602
Entamoeba histolytica cysteine proteinase, putative 0.0178 0.1602 0.9177
Loa Loa (eye worm) hypothetical protein 0.0052 0.0022 0.0022
Brugia malayi Cathepsin L-like precursor 0.0127 0.0963 0.0963
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.027 0.2767 0.8886
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Trypanosoma cruzi centrin, putative 0.0052 0.0022 0.0022
Plasmodium vivax unspecified product 0.0103 0.0665 0.2403
Plasmodium vivax serine-repeat antigen (SERA) 0.0053 0.0026 0.0095
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0768 0.905 0.905
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Echinococcus granulosus calcium uptake protein 1 0.0054 0.004 0.0018
Entamoeba histolytica cysteine proteinase, putative 0.0103 0.0665 0.3735
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0178 0.1602 1
Entamoeba histolytica hypothetical protein 0.0053 0.0026 0.0024
Echinococcus multilocularis cathepsin L 0.0103 0.0665 0.0644
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.027 0.2767 0.2767
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Echinococcus multilocularis snurportin 1 0.0316 0.3344 0.3329
Plasmodium vivax serine-repeat antigen 4 (SERA) 0.0053 0.0026 0.0095
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Plasmodium vivax serine-repeat antigen 3 (SERA) 0.0053 0.0026 0.0095
Giardia lamblia Hypothetical protein 0.0054 0.004 0.0045
Loa Loa (eye worm) cysteine proteinase cathepsin Z 0.0053 0.0026 0.0026
Brugia malayi Papain family cysteine protease containing protein 0.0178 0.1602 0.1602
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0053 0.0026 0.0026
Onchocerca volvulus Cell death protein 3 homolog 0.0059 0.0106 0.0169
Echinococcus multilocularis EF hand domain containing family member A2 0.0054 0.004 0.0018
Entamoeba histolytica cysteine protease, putative 0.0053 0.0026 0.0024
Schistosoma mansoni calpain-7 (C02 family) 0.027 0.2767 0.2767
Trypanosoma brucei cysteine peptidase C (CPC) 0.0297 0.3111 1
Trichomonas vaginalis calmodulin, putative 0.0054 0.004 0.0058
Leishmania major cathepsin L-like protease 0.0178 0.1602 0.5113
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.0385
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0844 1 1
Loa Loa (eye worm) hypothetical protein 0.0446 0.4984 0.4984
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.0026 0.0026
Entamoeba histolytica grainin, putative 0.0054 0.004 0.0104
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Trichomonas vaginalis hypothetical protein 0.0081 0.0385 0.1175
Schistosoma mansoni centrin-related 0.0052 0.0022 0.0022
Brugia malayi Calmodulin-like protein 0.0052 0.0022 0.0022
Onchocerca volvulus 0.0127 0.0963 0.1896
Trypanosoma cruzi kinesin, putative 0.0189 0.1743 0.1743
Echinococcus granulosus cathepsin L cysteine protease 0.0103 0.0665 0.0644
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.027 0.2767 0.2767
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.1602 0.5113
Loa Loa (eye worm) hypothetical protein 0.0052 0.0022 0.0022
Echinococcus granulosus calbindin 32 0.0054 0.004 0.0018
Leishmania major cysteine peptidase A (CPA) 0.0178 0.1602 0.5113
Entamoeba histolytica cysteine proteinase, putative 0.0103 0.0665 0.3735
Schistosoma mansoni ef hand domain family member A2 0.0052 0.0022 0.0022
Loa Loa (eye worm) ctsf protein 0.0178 0.1602 0.1602
Trypanosoma cruzi caltractin, putative 0.0052 0.0022 0.0022
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0053 0.0026 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Echinococcus multilocularis calpain 0.027 0.2767 0.2751
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0127 0.0963 0.0963
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0026 0.0013
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0178 0.1602 0.1602
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.2337 0.5
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0081 0.0385 0.0385
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.0385
Echinococcus multilocularis cathepsin L cysteine protease 0.0178 0.1602 0.1583
Onchocerca volvulus 0.0054 0.004 0.0036
Brugia malayi cathepsin Z-like cysteine proteinase 0.0053 0.0026 0.0026
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.0385
Echinococcus multilocularis calbindin 32 0.0054 0.004 0.0018
Trypanosoma cruzi calmodulin, putative 0.0052 0.0022 0.0022
Schistosoma mansoni calcium binding atopy-related autoantigen 0.0054 0.004 0.004
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.1602 0.5113
Trypanosoma cruzi calpain cysteine peptidase, putative 0.027 0.2767 0.2767
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Schistosoma mansoni calmodulin related calcium binding protein 0.0052 0.0022 0.0022
Echinococcus granulosus EF hand domain containing family member A2 0.0054 0.004 0.0018
Brugia malayi calpain family protein 1 0.0716 0.839 0.839
Trypanosoma cruzi cysteine peptidase, putative 0.0103 0.0665 0.0665
Brugia malayi calpain family protein 1 0.0716 0.839 0.839
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Loa Loa (eye worm) hypothetical protein 0.0178 0.1602 0.1602
Plasmodium falciparum cysteine proteinase falcipain 3 0.0178 0.1602 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0053 0.0026 0.0026
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.0053 0.0026 0.0026
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0053 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0053 0.0026 0.0026
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.0053 0.0026 0.0026
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0026 0.0013
Brugia malayi cathepsin Z-like cysteine proteinase 0.0053 0.0026 0.0026
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0026 0.0013
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0178 0.1602 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Giardia lamblia Cathepsin B precursor 0.0297 0.3111 1
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0081 0.0385 0.0385
Echinococcus granulosus calpain 7 C02 family 0.027 0.2767 0.2751
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0081 0.0385 0.1175
Brugia malayi Cathepsin L-like cysteine proteinase 0.0127 0.0963 0.0963
Loa Loa (eye worm) cathepsin B 0.0297 0.3111 0.3111
Trypanosoma cruzi I/6 autoantigen, putative 0.0052 0.0022 0.0022
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0178 0.1602 0.1583
Echinococcus multilocularis cathepsin L 0.0053 0.0026 0.0004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0026 0.0013
Plasmodium vivax serine-repeat antigen (SERA) 0.0053 0.0026 0.0095
Schistosoma mansoni calmodulin 0.0052 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0127 0.0963 0.0963
Loa Loa (eye worm) hypothetical protein 0.0527 0.6008 0.6008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0026 0.0013
Entamoeba histolytica cysteine protease, putative 0.0178 0.1602 0.9177
Entamoeba histolytica hypothetical protein, conserved 0.0054 0.004 0.0104
Plasmodium vivax calpain, putative 0.027 0.2767 1
Echinococcus multilocularis calpain family protein 1, d 0.0527 0.6008 0.5999
Brugia malayi cathepsin L-like precursor 0.0127 0.0963 0.0963
Brugia malayi calpain D 0.0081 0.0385 0.0385
Trypanosoma brucei Calpain-like protein 1.2 0.0081 0.0385 0.1175
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Plasmodium vivax vivapain-3 0.0103 0.0665 0.2403
Trypanosoma brucei antigen, putative 0.027 0.2767 0.8886
Schistosoma mansoni calpain (C02 family) 0.027 0.2767 0.2767
Schistosoma mansoni cathepsin B (C01 family) 0.0053 0.0026 0.0026
Schistosoma mansoni subfamily C1A unassigned peptidase (C01 family) 0.0053 0.0026 0.0026
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0844 1 1
Entamoeba histolytica calpain family cysteine protease, putative 0.0081 0.0385 0.2109
Leishmania major calpain protease-like protein 0.0081 0.0385 0.1175
Entamoeba histolytica cysteine proteinase, putative 0.0103 0.0665 0.3735
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0127 0.0963 0.3046
Trypanosoma cruzi kinesin, putative 0.0189 0.1743 0.1743
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0052 0.0022 0.008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.1602 0.5113
Trichomonas vaginalis Clan CA, family C1, cathepsin H-like cysteine peptidase 0.0053 0.0026 0.0013
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0053 0.0026 0.0026
Schistosoma mansoni cathepsin S (C01 family) 0.0053 0.0026 0.0026
Entamoeba histolytica cysteine protease, putative 0.0053 0.0026 0.0024
Schistosoma mansoni hypothetical protein 0.0081 0.0385 0.0385
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0385 0.1175
Leishmania major cathepsin L-like protease 0.0178 0.1602 0.5113
Schistosoma mansoni calpain-2 (C02 family) 0.0081 0.0385 0.0385
Loa Loa (eye worm) hypothetical protein 0.0053 0.0026 0.0026
Trichomonas vaginalis calpain, putative 0.0081 0.0385 0.1175
Trypanosoma brucei calpain, putative 0.0081 0.0385 0.1175
Brugia malayi EF hand family protein 0.0054 0.004 0.004
Toxoplasma gondii calpain family cysteine protease domain-containing protein 0.0081 0.0385 0.1175
Echinococcus granulosus cathepsin b 0.0844 1 1
Trypanosoma cruzi I/6 autoantigen, putative 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C1, cathepsin L or H-like cysteine peptidase 0.0053 0.0026 0.0013
Trypanosoma cruzi mitochondrial calcium uptake 1, putative 0.0052 0.0022 0.0022
Onchocerca volvulus Cathepsin F homolog 0.0178 0.1602 0.3183
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0053 0.0026 0.0013
Trichomonas vaginalis Clan CA, family C1, cathepsin F-like cysteine peptidase 0.0053 0.0026 0.0013
Plasmodium falciparum serine repeat antigen 2 0.0053 0.0026 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Echinococcus granulosus cathepsin L 0.0053 0.0026 0.0004
Brugia malayi calpain 5 0.0189 0.1743 0.1743
Trichomonas vaginalis conserved hypothetical protein 0.0081 0.0385 0.1175
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.1602 0.5113
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Leishmania major calpain-like protein, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0385 0.0385
Echinococcus granulosus calpain 5 0.027 0.2767 0.2751
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.0385
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Loa Loa (eye worm) hypothetical protein 0.0053 0.0026 0.0026
Trypanosoma brucei kinesin, putative 0.0189 0.1743 0.5572
Onchocerca volvulus 0.0178 0.1602 0.3183
Echinococcus multilocularis calpain 7 (C02 family) 0.027 0.2767 0.2751
Trypanosoma brucei Calpain-like protein 2 0.0081 0.0385 0.1175
Schistosoma mansoni cathepsin F (C01 family) 0.0178 0.1602 0.1602
Schistosoma mansoni neuronal calcium sensor 0.0052 0.0022 0.0022
Brugia malayi EF hand family protein 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Echinococcus multilocularis hypothetical protein 0.027 0.2767 0.2751
Trypanosoma brucei Calpain-like protein 1.1 0.0081 0.0385 0.1175
Plasmodium vivax vivapain-2 0.0178 0.1602 0.5788
Loa Loa (eye worm) hypothetical protein 0.0081 0.0385 0.0385
Echinococcus multilocularis cathepsin L cysteine protease 0.0178 0.1602 0.1583
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0316 0.3344 0.3344
Echinococcus granulosus cathepsin l1 0.0178 0.1602 0.1583
Plasmodium vivax serine-repeat antigen 2 (SERA) 0.0053 0.0026 0.0095
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0178 0.1602 0.1583
Schistosoma mansoni calpain C (C02 family) 0.027 0.2767 0.2767
Schistosoma mansoni reticulocalbin 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Toxoplasma gondii cathepsin CPC2 0.0053 0.0026 0.0013
Brugia malayi calpain 5 0.0081 0.0385 0.0385
Onchocerca volvulus 0.0178 0.1602 0.3183
Toxoplasma gondii cathepsin CPL 0.0178 0.1602 0.5113
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Schistosoma mansoni neuronal calcium sensor 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0385 0.1175
Echinococcus granulosus calpain 0.027 0.2767 0.2751
Toxoplasma gondii calmodulin CAM1 0.0054 0.004 0.0058
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0127 0.0963 0.3046
Schistosoma mansoni cathepsin F (C01 family) 0.0178 0.1602 0.1602
Echinococcus multilocularis calpain 5 0.027 0.2767 0.2751
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0103 0.0665 0.0665
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.0053 0.0026 0.0095
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.0053 0.0026 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Loa Loa (eye worm) hypothetical protein 0.0716 0.839 0.839
Trypanosoma brucei calpain-like protein, putative 0.027 0.2767 0.8886
Brugia malayi Cathepsin L-like precursor 0.0127 0.0963 0.0963
Trypanosoma cruzi cysteine peptidase, putative 0.0178 0.1602 0.1602
Entamoeba histolytica cysteine proteinase, putative 0.0178 0.1602 0.9177
Loa Loa (eye worm) fibroinase 0.0178 0.1602 0.1602
Leishmania major hypothetical protein, conserved 0.0054 0.004 0.0058
Trypanosoma brucei calpain-like protein, putative 0.027 0.2767 0.8886
Onchocerca volvulus Cathepsin L homolog 0.0178 0.1602 0.3183
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.027 0.2767 0.8886
Schistosoma mansoni Sarcoplasmic calcium-binding protein (SCP). 0.0052 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0059 0.0106 0.0106
Brugia malayi cathepsin L-like cysteine proteinase 0.0053 0.0026 0.0026
Entamoeba histolytica cysteine proteinase, putative 0.0103 0.0665 0.3735
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Echinococcus granulosus cathepsin l1 0.0127 0.0963 0.0943
Echinococcus multilocularis calcium uptake protein 1 0.0054 0.004 0.0018
Echinococcus granulosus cathepsin L 0.0103 0.0665 0.0644
Loa Loa (eye worm) hypothetical protein 0.0127 0.0963 0.0963
Entamoeba histolytica calpain large subunit domain III containing protein 0.0189 0.1743 1
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.027 0.2767 0.8886
Onchocerca volvulus 0.0178 0.1602 0.3183
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0178 0.1602 0.1602
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 33 0.0054 0.004 0.004
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.0385
Plasmodium falciparum serine repeat antigen 1 0.0053 0.0026 0.0026
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0026 0.0013
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0768 0.905 0.905
Echinococcus multilocularis calumenin 0.0054 0.004 0.0018
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0297 0.3111 1
Loa Loa (eye worm) calpain D 0.0081 0.0385 0.0385
Trypanosoma cruzi CAMK/CAMKL family protein kinase, putative 0.0052 0.0022 0.0022
Trypanosoma cruzi cysteine protease, putative 0.0103 0.0665 0.0665
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0103 0.0665 0.2081
Echinococcus granulosus cysteine protease 0.0103 0.0665 0.0644
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0053 0.0026 0.0013
Plasmodium falciparum serine repeat antigen 5 0.0053 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0053 0.0026 0.0026
Onchocerca volvulus Cathepsin L homolog 0.0053 0.0026 0.0008
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Onchocerca volvulus 0.0178 0.1602 0.3183
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0103 0.0665 0.0665
Leishmania major cathepsin L-like protease 0.0178 0.1602 0.5113
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0385 0.1175
Loa Loa (eye worm) hypothetical protein 0.0053 0.0026 0.0026
Leishmania major calpain family cysteine protease-like protein 0.0081 0.0385 0.1175
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.0053 0.0026 0.0095
Trypanosoma cruzi calmodulin, putative 0.0052 0.0022 0.0022
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0081 0.0385 0.0385
Schistosoma mansoni hypothetical protein 0.0052 0.0022 0.0022
Trypanosoma cruzi cysteine proteinase, putative 0.0103 0.0665 0.0665
Schistosoma mansoni cathepsin F (C01 family) 0.0127 0.0963 0.0963
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0053 0.0026 0.0026
Loa Loa (eye worm) calmodulin-like protein 0.0052 0.0022 0.0022
Leishmania major hypothetical protein, unknown function 0.0081 0.0385 0.1175
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Entamoeba histolytica protein kinase, putative 0.0189 0.1743 1
Onchocerca volvulus 0.0178 0.1602 0.3183
Brugia malayi RNA, U transporter 1 0.0084 0.0422 0.0422
Echinococcus granulosus cathepsin L cysteine proteinase 0.0178 0.1602 0.1583
Loa Loa (eye worm) hypothetical protein 0.0844 1 1
Brugia malayi Papain family cysteine protease containing protein 0.0103 0.0665 0.0665
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.027 0.2767 0.2767
Trypanosoma brucei cytoskeleton-associated protein CAP5.5, putative 0.0081 0.0385 0.1175
Schistosoma mansoni reticulocalbin 0.0054 0.004 0.004
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0053 0.0026 0.0095
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0026 0.0013
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0053 0.0026 0.0013
Trypanosoma cruzi centrin, putative 0.0052 0.0022 0.0022
Trypanosoma cruzi cytoskeleton-associated protein CAP5.5, putative 0.0081 0.0385 0.0385
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0297 0.3111 1
Plasmodium falciparum serine repeat antigen 7 0.0053 0.0026 0.0026
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.027 0.2767 0.2767
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.027 0.2767 0.8886
Echinococcus granulosus calpain A 0.077 0.9068 0.9066
Plasmodium falciparum serine repeat antigen 6 0.0053 0.0026 0.0026
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0385 0.1175
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.0385
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0385 0.0385
Trypanosoma brucei calpain-like protein, putative 0.027 0.2767 0.8886
Onchocerca volvulus Cathepsin L homolog 0.0178 0.1602 0.3183
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0385 0.0385
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.0385
Entamoeba histolytica cysteine protease, putative 0.0053 0.0026 0.0024
Entamoeba histolytica cysteine protease, putative 0.0053 0.0026 0.0024
Echinococcus granulosus snurportin 1 0.0316 0.3344 0.3329
Toxoplasma gondii calcium-dependent protein kinase 0.0054 0.004 0.0058
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Trichomonas vaginalis Clan CA, family C1, cathepsin L, S or H-like cysteine peptidase 0.0053 0.0026 0.0013
Trypanosoma brucei cysteine peptidase, putative 0.0081 0.0385 0.1175
Schistosoma mansoni neuronal calcium sensor 0.0052 0.0022 0.0022
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0103 0.0665 0.0665
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0844 1 1
Schistosoma mansoni cathepsin C 0.0053 0.0026 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0103 0.0665 0.2081
Plasmodium falciparum serine repeat antigen 4 0.0053 0.0026 0.0026
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0103 0.0665 0.0665
Echinococcus granulosus cathepsin b 0.0844 1 1
Trypanosoma cruzi conserved protein 0.0081 0.0385 0.0385
Onchocerca volvulus 0.0446 0.4984 1
Trypanosoma brucei calpain-like protein, putative 0.027 0.2767 0.8886
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0178 0.1602 0.5113
Loa Loa (eye worm) hypothetical protein 0.0635 0.7366 0.7366
Trypanosoma brucei hypothetical protein 0.0081 0.0385 0.1175
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0385 0.1175
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.1602 0.5113
Plasmodium falciparum serine repeat antigen 9 0.0053 0.0026 0.0026
Giardia lamblia Cathepsin B precursor 0.0297 0.3111 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0716 0.839 0.839
Schistosoma mansoni subfamily C1A non-peptidase homologue (C01 family) 0.0053 0.0026 0.0026
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Schistosoma mansoni hypothetical protein 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0053 0.0026 0.0013
Trypanosoma brucei glucosamine 6-phosphate n-acetyltransferase 0.0081 0.0385 0.1175
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.027 0.2767 0.2767
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0053 0.0026 0.0026
Schistosoma mansoni caspase-7 (C14 family) 0.0059 0.0106 0.0106
Brugia malayi Cathepsin L-like precursor 0.0178 0.1602 0.1602
Trypanosoma cruzi centrin-3 0.0052 0.0022 0.0022
Loa Loa (eye worm) EF hand family protein 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0844 1 1
Brugia malayi cathepsin F-like cysteine proteinase 0.0053 0.0026 0.0026
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.027 0.2767 0.8886
Brugia malayi Papain family cysteine protease containing protein 0.0053 0.0026 0.0026
Leishmania major cathepsin L-like protease 0.0178 0.1602 0.5113
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0385 0.0385
Onchocerca volvulus 0.0178 0.1602 0.3183
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.027 0.2767 0.2767
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0297 0.3111 0.3111
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0053 0.0026 0.0095
Loa Loa (eye worm) calpain 0.027 0.2767 0.2767
Entamoeba histolytica cysteine proteinase 1, putative 0.0103 0.0665 0.3735
Schistosoma mansoni neuronal calcium sensor 0.0052 0.0022 0.0022
Brugia malayi Cathepsin L-like precursor 0.0178 0.1602 0.1602
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.0385
Brugia malayi Papain family cysteine protease containing protein 0.0103 0.0665 0.0665
Echinococcus multilocularis calpain A 0.077 0.9068 0.9066
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Trypanosoma cruzi CAMK/CAMKL family protein kinase, putative 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.027 0.2767 0.2767
Brugia malayi Papain family cysteine protease containing protein 0.0053 0.0026 0.0026
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0178 0.1602 0.5113
Trypanosoma brucei Calpain-like protein CALP1.3 0.0081 0.0385 0.1175
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0844 1 1
Brugia malayi cathepsin L precursor 0.0053 0.0026 0.0026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0103 0.0665 0.2081
Brugia malayi calcium-binding protein 0.0052 0.0022 0.0022
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0768 0.905 0.9048
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Loa Loa (eye worm) cysteine protease 0.0178 0.1602 0.1602
Echinococcus multilocularis cathepsin b 0.0844 1 1
Leishmania major cytoskeleton-associated protein CAP5.5, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Schistosoma mansoni calpain-7 (C02 family) 0.027 0.2767 0.2767
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Trypanosoma cruzi cysteine peptidase, putative 0.0178 0.1602 0.1602
Schistosoma mansoni Mername-AA248 (C02 family) 0.027 0.2767 0.2767
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Loa Loa (eye worm) hypothetical protein 0.0127 0.0963 0.0963
Brugia malayi Cathepsin L-like precursor 0.0178 0.1602 0.1602
Loa Loa (eye worm) calpain family protein 1 0.0716 0.839 0.839
Loa Loa (eye worm) calpain 5 0.0189 0.1743 0.1743
Onchocerca volvulus 0.0178 0.1602 0.3183
Schistosoma mansoni centrin 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C2, calpain-like cysteine peptidase 0.0081 0.0385 0.1175
Toxoplasma gondii hypothetical protein 0.0081 0.0385 0.1175
Loa Loa (eye worm) hypothetical protein 0.0053 0.0026 0.0026
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.0026 0.0026
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0053 0.0026 0.0013
Leishmania major cathepsin L-like protease 0.0178 0.1602 0.5113
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.1602 0.5113
Toxoplasma gondii cathepsin B 0.0297 0.3111 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Entamoeba histolytica cysteine protease, putative 0.0103 0.0665 0.3735
Loa Loa (eye worm) programmed cell death protein 6 0.0054 0.004 0.004
Echinococcus granulosus calpain A 0.027 0.2767 0.2751
Trichomonas vaginalis calpain, putative 0.0081 0.0385 0.1175
Trypanosoma cruzi Present in the outer mitochondrial membrane proteome 33 0.0052 0.0022 0.0022
Toxoplasma gondii preprocathepsin c precursor, putative 0.0053 0.0026 0.0013
Trypanosoma brucei calpain, putative 0.0081 0.0385 0.1175
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0053 0.0026 0.0024
Trypanosoma cruzi cysteine peptidase, putative 0.0178 0.1602 0.1602
Leishmania major kinesin, putative 0.0189 0.1743 0.5572
Schistosoma mansoni calmodulin 0.0052 0.0022 0.0022
Brugia malayi Cell death protein 3 precursor 0.0059 0.0106 0.0106
Entamoeba histolytica cysteine protease, putative 0.0053 0.0026 0.0024
Giardia lamblia Cathepsin B precursor 0.0297 0.3111 1
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0026 0.0013
Echinococcus multilocularis cysteine protease 0.0178 0.1602 0.1583
Plasmodium vivax unspecified product 0.0053 0.0026 0.0095
Brugia malayi Papain family cysteine protease containing protein 0.0053 0.0026 0.0026
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0053 0.0026 0.0026
Plasmodium vivax serine-repeat antigen 4 (SERA), putative 0.0053 0.0026 0.0095
Echinococcus multilocularis cathepsin b 0.0844 1 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0385 0.0385
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.1602 0.5113
Plasmodium falciparum serine repeat antigen 3 0.0053 0.0026 0.0026
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0103 0.0665 0.2081
Leishmania major cathepsin L-like protease 0.0178 0.1602 0.5113
Plasmodium vivax hypothetical protein, conserved 0.0054 0.004 0.0145
Onchocerca volvulus 0.0053 0.0026 0.0008
Trichomonas vaginalis calcineurin B subunit, putative 0.0054 0.004 0.0058
Schistosoma mansoni hypothetical protein 0.0316 0.3344 0.3344
Entamoeba histolytica cysteine proteinase 2 0.0103 0.0665 0.3735
Brugia malayi calpain 7 0.027 0.2767 0.2767
Plasmodium vivax centrin-1, putative 0.0052 0.0022 0.008
Trichomonas vaginalis conserved hypothetical protein 0.0053 0.0026 0.0013
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.027 0.2767 0.2767
Leishmania major cathepsin L-like protease 0.0178 0.1602 0.5113
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0081 0.0385 0.0385
Trypanosoma cruzi cysteine proteinase, putative 0.0103 0.0665 0.0665
Echinococcus granulosus cathepsin l cysteine peptidase 0.0178 0.1602 0.1583
Brugia malayi fibroinase precursor 0.0053 0.0026 0.0026
Plasmodium falciparum serine repeat antigen 8 0.0053 0.0026 0.0026
Leishmania major hypothetical protein, conserved 0.0081 0.0385 0.1175
Schistosoma mansoni mitochondrial solute carrier 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0178 0.1602 0.5113
Plasmodium vivax serine-repeat antigen 5 (SERA) 0.0053 0.0026 0.0095
Leishmania major cathepsin L-like protease 0.0178 0.1602 0.5113
Plasmodium vivax vivapain-1 0.0103 0.0665 0.2403
Plasmodium vivax vivapain-2 0.0178 0.1602 0.5788
Trypanosoma cruzi cruzipain precursor, putative 0.0178 0.1602 0.1602
Brugia malayi programmed cell death protein 6 0.0052 0.0022 0.0022
Entamoeba histolytica cysteine proteinase, putative 0.0127 0.0963 0.5466
Plasmodium vivax serine-repeat antigen (SERA), putative 0.0053 0.0026 0.0095
Entamoeba histolytica cysteine protease, putative 0.0053 0.0026 0.0024
Brugia malayi Cathepsin L-like precursor 0.0178 0.1602 0.1602
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Echinococcus granulosus calumenin 0.0054 0.004 0.0018
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Brugia malayi cahepsin L-like non-peptiedase homolog 0.0053 0.0026 0.0026
Echinococcus multilocularis cysteine protease 0.0178 0.1602 0.1583
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0178 0.1602 0.5113
Trypanosoma cruzi calmodulin, putative 0.0052 0.0022 0.0022
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0053 0.0026 0.0013
Entamoeba histolytica papain family cysteine protease domain containing protein 0.0053 0.0026 0.0024
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0178 0.1602 0.5113
Plasmodium falciparum calpain 0.0081 0.0385 0.2298
Brugia malayi Cathepsin L-like precursor 0.0178 0.1602 0.1602
Trypanosoma cruzi cysteine peptidase, putative 0.0178 0.1602 0.1602
Trichomonas vaginalis calpain, putative 0.0081 0.0385 0.1175
Trypanosoma cruzi programmed cell death 6 protein-like, putative 0.0052 0.0022 0.0022
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0081 0.0385 0.1175
Echinococcus multilocularis caspase 2 0.0059 0.0106 0.0084

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 25 % Inhibition of [3H]-CGS-21,680 binding to Adenosine A2A receptor expressed in CHO cells ChEMBL. 15481989
Ki (binding) = 23 nM Displacement of [125I]-AB-MECA binding to Adenosine A3 receptor expressed in CHO cells ChEMBL. 15481989
Ki (binding) = 350 nM Displacement of [3H]-CHA binding to Adenosine A1 receptor expressed in CHO cells ChEMBL. 15481989
Ki (binding) > 1000 nM Displacement of [3H]-CGS-21,680 binding to Adenosine A2 receptor expressed in CHO cells ChEMBL. 15481989
Ratio (binding) = 15.22 Ratio of binding affinity for Adenosine A1 and Adenosine A3 receptors ChEMBL. 15481989

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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