Detailed information for compound 60854

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 861.025 | Formula: C48H62F2N4O8
  • H donors: 4 H acceptors: 6 LogP: 9.28 Rotable bonds: 29
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)[C@H](Cc1ccccc1)/C=C/[C@@H](NC(=O)C(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)Cc1ccccc1)Cc1ccccc1)CC(C)C)(F)F)CC(C)C
  • InChi: 1S/C48H62F2N4O8/c1-31(2)26-37(25-24-36(44(58)61-8)28-33-18-12-9-13-19-33)51-45(59)48(49,50)41(55)38(27-32(3)4)52-42(56)39(29-34-20-14-10-15-21-34)53-43(57)40(30-35-22-16-11-17-23-35)54-46(60)62-47(5,6)7/h9-25,31-32,36-40H,26-30H2,1-8H3,(H,51,59)(H,52,56)(H,53,57)(H,54,60)/b25-24+/t36-,37+,38-,39-,40-/m0/s1
  • InChiKey: AUXGYUOGBSTLSL-VBESFQFHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens renin Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi aspartyl protease, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum Cathepsin D precursor, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma japonicum ko:K01379 cathepsin D [EC3.4.23.5], putative Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Renin, related Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Candida albicans vacuolar aspartic proteinase precursor similar to S. cerevisiae PEP4 (YPL154C) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium hominis aspartyl protease precursor Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) aspartic protease BmAsp-2 Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl protease ASP1 Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin II Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium knowlesi plasmepsin IV, putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium vivax aspartyl proteinase, putative Get druggable targets OG5_126885 All targets in OG5_126885
Babesia bovis eukaryotic aspartyl protease family protein Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii plasmepsin Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium yoelii hypothetical protein Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium berghei plasmepsin IV Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva cathepsin E, putative Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Schistosoma mansoni cathepsin D (A01 family) Get druggable targets OG5_126885 All targets in OG5_126885
Neospora caninum Pepsinogen A1, related Get druggable targets OG5_126885 All targets in OG5_126885
Toxoplasma gondii aspartyl proteinase (eimepsin), putative Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin VI Get druggable targets OG5_126885 All targets in OG5_126885
Plasmodium falciparum plasmepsin I Get druggable targets OG5_126885 All targets in OG5_126885
Cryptosporidium parvum membrane bound aspartyl proteinase with a signal peptide plus transmembrane domain Get druggable targets OG5_126885 All targets in OG5_126885
Echinococcus granulosus cathepsin d lysosomal aspartyl protease Get druggable targets OG5_126885 All targets in OG5_126885
Theileria parva pepsinogen, putative Get druggable targets OG5_126885 All targets in OG5_126885
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum plasmepsin X renin 406 aa 352 aa 26.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.0015 0.0018 0.0552
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0025 0.0017
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0013 0.0008 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0025 0.1139
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Leishmania major cathepsin L-like protease 0.0063 0.0239 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0025 0.1139
Loa Loa (eye worm) hypothetical protein 0.0146 0.0622 0.6132
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0239 1
Onchocerca volvulus 0.0047 0.0166 0.6757
Trypanosoma cruzi ISWI complex protein 0.0015 0.0018 0.0552
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0014 0.0013 0.0132
Brugia malayi hypothetical protein 0.0014 0.0013 0.0132
Toxoplasma gondii aspartyl protease ASP1 0.0059 0.0221 1
Brugia malayi Bromodomain containing protein 0.0073 0.0287 0.2828
Echinococcus multilocularis geminin 0.0165 0.0712 0.0704
Brugia malayi Bromodomain containing protein 0.0037 0.0121 0.1198
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0063 0.2456
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0025 0.0025
Schistosoma mansoni hypothetical protein 0.0165 0.0712 0.2305
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0025 0.1139
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0025 1
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0025 0.0248
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0025 0.0017
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0072 0.0707
Echinococcus multilocularis lamin 0.0027 0.0072 0.0064
Echinococcus granulosus jun protein 0.0082 0.0327 0.0327
Onchocerca volvulus 0.0017 0.0025 0.1024
Plasmodium falciparum plasmepsin VI 0.0059 0.0221 1
Schistosoma mansoni lamin 0.0027 0.0072 0.0232
Echinococcus granulosus lamin dm0 0.0027 0.0072 0.0072
Echinococcus granulosus muscleblind protein 0.0146 0.0622 0.0622
Brugia malayi hypothetical protein 0.0231 0.1014 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0072 0.0707
Brugia malayi PHD-finger family protein 0.0024 0.0061 0.0603
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0005 0.0049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0059
Trypanosoma brucei ISWI complex protein 0.0015 0.0018 0.0552
Loa Loa (eye worm) hypothetical protein 0.0017 0.0026 0.0254
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0026 0.0084
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0063 0.2365
Loa Loa (eye worm) fibroinase 0.0017 0.0025 0.0248
Loa Loa (eye worm) hypothetical protein 0.0025 0.0063 0.0617
Schistosoma mansoni hypothetical protein 0.002 0.0042 0.0136
Echinococcus multilocularis lamin dm0 0.0027 0.0072 0.0064
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0239 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.0072 0.0232
Onchocerca volvulus 0.0017 0.0025 0.1024
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0025 0.1139
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0063 0.2365
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.0013 0.0043
Schistosoma mansoni zinc finger protein 0.0019 0.0037 0.012
Loa Loa (eye worm) hypothetical protein 0.0037 0.0122 0.1201
Echinococcus multilocularis cysteine protease 0.0017 0.0025 0.0017
Loa Loa (eye worm) hypothetical protein 0.008 0.0317 0.3125
Onchocerca volvulus 0.0027 0.0072 0.2915
Brugia malayi Cathepsin L-like precursor 0.0017 0.0025 0.0248
Schistosoma mansoni bromodomain containing protein 0.0062 0.0234 0.0758
Trypanosoma cruzi ISWI complex protein 0.0015 0.0018 0.0552
Brugia malayi Pepsin A precursor 0.0014 0.0013 0.0132
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0025 0.1139
Brugia malayi Muscleblind-like protein 0.0146 0.0622 0.6132
Loa Loa (eye worm) hypothetical protein 0.0013 0.0008 0.0081
Trypanosoma cruzi cruzipain precursor, putative 0.0063 0.0239 1
Leishmania major cathepsin L-like protease 0.0017 0.0025 0.0863
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0025 0.1024
Trypanosoma cruzi major cysteine proteinase, putative 0.0049 0.0177 0.7348
Trypanosoma cruzi cysteine peptidase, putative 0.0063 0.0239 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0059 0.0221 0.0716
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0025 0.0569
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0042 0.0413
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0025 0.0017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Leishmania major cathepsin L-like protease 0.0017 0.0025 0.0863
Echinococcus multilocularis microtubule associated protein 2 0.068 0.3089 0.3083
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.0013 0.0043
Onchocerca volvulus 0.0017 0.0025 0.1024
Leishmania major cathepsin L-like protease 0.0063 0.0239 1
Echinococcus granulosus geminin 0.0165 0.0712 0.0712
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Echinococcus granulosus lamin 0.0027 0.0072 0.0072
Brugia malayi Cathepsin L-like precursor 0.0017 0.0025 0.0248
Onchocerca volvulus 0.0014 0.0013 0.0543
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0218 0.0218
Echinococcus granulosus survival motor neuron protein 1 0.0231 0.1014 0.1014
Leishmania major cathepsin L-like protease 0.0017 0.0025 0.0863
Schistosoma mansoni memapsin-2 (A01 family) 0.0014 0.0013 0.0043
Loa Loa (eye worm) hypothetical protein 0.0026 0.0069 0.0685
Leishmania major cathepsin L-like protease 0.0017 0.0025 0.0863
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.0013 0.0043
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0051 0.0051
Brugia malayi aspartic protease BmAsp-2, identical 0.0014 0.0013 0.0132
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0059 0.0221 0.0221
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0059 0.0221 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.0013 0.0043
Echinococcus granulosus histone lysine methyltransferase setb 0.0017 0.0026 0.0026
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0026 0.0018
Leishmania major cysteine peptidase A (CPA) 0.0017 0.0025 0.0863
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Loa Loa (eye worm) hypothetical protein 0.0059 0.0221 0.2182
Plasmodium vivax vivapain-2 0.0017 0.0025 0.0569
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.0487 0.48
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0017 0.0025 0.1139
Echinococcus multilocularis zinc finger protein 0.0019 0.0037 0.0029
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.0013 0.0043
Plasmodium vivax aspartyl proteinase, putative 0.0059 0.0221 1
Schistosoma mansoni hypothetical protein 0.0165 0.0712 0.2305
Schistosoma mansoni hypothetical protein 0.0067 0.0256 0.083
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Onchocerca volvulus 0.0014 0.0013 0.0543
Brugia malayi Cathepsin L-like precursor 0.0017 0.0025 0.0248
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.0013 0.0043
Toxoplasma gondii cathepsin CPL 0.0017 0.0025 0.0569
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Echinococcus multilocularis cysteine protease 0.0017 0.0025 0.0017
Brugia malayi aspartic protease BmAsp-1, identical 0.0014 0.0013 0.0132
Loa Loa (eye worm) hypothetical protein 0.0017 0.0025 0.0248
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0025 1
Brugia malayi hypothetical protein 0.0016 0.0022 0.022
Loa Loa (eye worm) hypothetical protein 0.004 0.0132 0.1306
Echinococcus multilocularis muscleblind protein 1 0.0146 0.0622 0.0614
Plasmodium falciparum plasmepsin I 0.0059 0.0221 1
Plasmodium falciparum plasmepsin II 0.0059 0.0221 1
Mycobacterium ulcerans thymidine phosphorylase 0.2178 1 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0141 0.1391
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0025 0.1139
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0051 0.0042
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0025 0.0248
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0025 0.1139
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0059 0.0221 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0025 0.0248
Loa Loa (eye worm) hypothetical protein 0.0069 0.0267 0.2638
Schistosoma mansoni hypothetical protein 0.0015 0.0018 0.0058
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.0615 0.2786 0.2782
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0025 0.0017
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Echinococcus multilocularis musashi 0.0027 0.0072 0.0064
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0005 0.0049
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0025 0.1139
Brugia malayi Eukaryotic aspartyl protease family protein 0.0014 0.0013 0.0132
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0166 0.1639
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0025 0.1139
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0082 0.0327 0.0327
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0005 0.0049
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0111 0.0111
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.0487 0.48
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0051 0.0164
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0025 0.0025
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0059 0.0221 0.2182
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0063 0.2456
Echinococcus multilocularis survival motor neuron protein 1 0.0231 0.1014 0.1007
Echinococcus granulosus zinc finger protein 0.0019 0.0037 0.0037
Schistosoma mansoni survival motor neuron protein 0.0047 0.0166 0.0538
Loa Loa (eye worm) aspartyl protease 6 0.0014 0.0013 0.0132
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0025 0.0569
Brugia malayi Cathepsin L-like precursor 0.0017 0.0025 0.0248
Onchocerca volvulus 0.0017 0.0025 0.1024
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0025 0.0248
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0026 0.0018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0017 0.0025 0.1139
Brugia malayi MH2 domain containing protein 0.0117 0.0487 0.48
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0072 0.0707
Loa Loa (eye worm) hypothetical protein 0.0231 0.1014 1
Brugia malayi bZIP transcription factor family protein 0.0082 0.0327 0.3227
Brugia malayi hypothetical protein 0.0014 0.0013 0.0132
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0015 0.0145
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0026 0.0084
Loa Loa (eye worm) hypothetical protein 0.0012 0.0006 0.0059
Brugia malayi Cytochrome P450 family protein 0.0012 0.0005 0.0049
Loa Loa (eye worm) hypothetical protein 0.0146 0.0622 0.6132
Brugia malayi Cathepsin L-like precursor 0.0017 0.0025 0.0248
Brugia malayi hypothetical protein 0.0025 0.0063 0.0617
Entamoeba histolytica cysteine protease, putative 0.0017 0.0025 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0025 0.0082
Brugia malayi Cytochrome P450 family protein 0.0012 0.0005 0.0049
Schistosoma mansoni lamin 0.0027 0.0072 0.0232
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Schistosoma mansoni jun-related protein 0.0067 0.0256 0.083
Onchocerca volvulus 0.0064 0.0246 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.0013 0.0043
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Onchocerca volvulus 0.0017 0.0025 0.1024
Echinococcus multilocularis jun protein 0.0082 0.0327 0.0319
Echinococcus granulosus cathepsin l1 0.0017 0.0025 0.0025
Loa Loa (eye worm) cysteine protease 0.0017 0.0025 0.0248
Schistosoma mansoni microtubule-associated protein tau 0.068 0.3089 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0111 0.0103
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0025 0.0569
Schistosoma mansoni zinc finger protein 0.0015 0.0018 0.0058
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0026 0.0084
Brugia malayi cytoplasmic intermediate filament protein 0.0014 0.0015 0.0145
Echinococcus multilocularis muscleblind protein 0.0146 0.0622 0.0614
Schistosoma mansoni hypothetical protein 0.0047 0.0166 0.0538
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.0752 0.2433
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0082 0.0327 0.0319
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Brugia malayi intermediate filament protein 0.0027 0.0072 0.0707
Loa Loa (eye worm) hypothetical protein 0.0027 0.0072 0.0707
Plasmodium falciparum plasmepsin IV 0.0059 0.0221 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0013 0.0132
Echinococcus multilocularis thymidine phosphorylase 0.2178 1 1
Brugia malayi hypothetical protein 0.0064 0.0246 0.2426
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0063 0.0239 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0057 0.0214 0.8925
Onchocerca volvulus Cathepsin F homolog 0.0017 0.0025 0.1024
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0025 0.0863
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0218 0.021
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Onchocerca volvulus 0.0017 0.0025 0.1024
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0026 0.0026
Onchocerca volvulus Cathepsin L homolog 0.0017 0.0025 0.1024
Echinococcus granulosus intermediate filament protein 0.0027 0.0072 0.0072
Plasmodium vivax vivapain-2 0.0017 0.0025 0.0569
Leishmania major cathepsin L-like protease 0.0017 0.0025 0.0863
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0063 0.2365
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0029 0.0282
Schistosoma mansoni cathepsin D (A01 family) 0.0174 0.0752 0.2433
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0025 0.1139
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0063 0.2365
Onchocerca volvulus 0.0027 0.0072 0.2915
Loa Loa (eye worm) ctsf protein 0.0017 0.0025 0.0248
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0059 0.0221 0.0213
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0014 0.0013 0.0043
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0026 0.0084
Leishmania major hypothetical protein, conserved 0.0025 0.0063 0.2456
Echinococcus granulosus microtubule associated protein 2 0.068 0.3089 0.3089
Plasmodium vivax plasmepsin IV, putative 0.0059 0.0221 1
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.0615 0.2786 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0063 0.2456
Leishmania major cathepsin L-like protease 0.0063 0.0239 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0013 0.0132
Onchocerca volvulus 0.0017 0.0025 0.1024
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0025 0.0082
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.2178 1 1

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1200 nM Compound was evaluated for inhibitory activity against human kidney renin ChEMBL. 3305947
Ki (binding) = 1200 nM Compound was evaluated for inhibitory activity against human kidney renin ChEMBL. 3305947

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.