Detailed information for compound 1100487

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 370.363 | Formula: C17H18N6O4
  • H donors: 3 H acceptors: 5 LogP: -0.2 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@@H]1[C@@H](/C=N/OCc2ccccc2)OC([C@@H]1O)n1cnc2c1ncnc2N
  • InChi: 1S/C17H18N6O4/c18-15-12-16(20-8-19-15)23(9-21-12)17-14(25)13(24)11(27-17)6-22-26-7-10-4-2-1-3-5-10/h1-6,8-9,11,13-14,17,24-25H,7H2,(H2,18,19,20)/b22-6+/t11-,13-,14-,17?/m1/s1
  • InChiKey: IJZVRNLYGCRZES-ABQCRRETSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Cryptosporidium parvum S-adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH Get druggable targets OG5_127233 All targets in OG5_127233
Trichomonas vaginalis adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania mexicana S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Cryptosporidium hominis adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Schistosoma mansoni adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania braziliensis S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Toxoplasma gondii S-Adenosyl homocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania infantum S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Trichomonas vaginalis adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium knowlesi adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium falciparum adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Babesia bovis adenosylhomocysteinase (S-adenosyl-L-homocysteinehydrolase) Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium berghei adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma congolense S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Echinococcus granulosus adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma congolense S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Loa Loa (eye worm) adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma brucei gambiense S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Entamoeba histolytica adenosylhomocysteinase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Theileria parva S-adenosyl-L-homocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania major S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Candida albicans Putative S-adenosyl-L-homocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Neospora caninum hypothetical protein Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Echinococcus multilocularis adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Candida albicans Putative S-adenosyl-L-homocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania donovani S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Brugia malayi Adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Leishmania braziliensis S-adenosylhomocysteine hydrolase Get druggable targets OG5_127233 All targets in OG5_127233
Schistosoma japonicum ko:K01251 adenosylhomocysteinase [EC3.3.1.1], putative Get druggable targets OG5_127233 All targets in OG5_127233
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) Get druggable targets OG5_127233 All targets in OG5_127233
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative Get druggable targets OG5_127233 All targets in OG5_127233
Plasmodium yoelii adenosylhomocysteinase Get druggable targets OG5_127233 All targets in OG5_127233
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
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0066 0.3227
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0066 0.3227
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.6764 1 1
Echinococcus granulosus pyruvate kinase 0.0037 0.0026 0.0026
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0001 0.007
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0022 0.0022
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0126 0.1751
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0005 0.0063
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0001 0.5
Giardia lamblia Kinase, PLK 0.0104 0.0126 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.008 0.1263
Loa Loa (eye worm) hypothetical protein 0.0022 0.0005 0.0063
Loa Loa (eye worm) hypothetical protein 0.0106 0.0129 0.2062
Onchocerca volvulus 0.0501 0.0715 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0126 0.1751
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0001 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0005 0.0005
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0026 0.041
Brugia malayi ecdysteroid receptor 0.0022 0.0005 0.0063
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0001 0.0043
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0049 0.0045 0.0615
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0005 0.0063
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.0126 0.2004
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.0166 0.2654
Trichomonas vaginalis pyruvate kinase, putative 0.0037 0.0026 0.0358
Mycobacterium tuberculosis Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase) 0.0156 0.0204 0.0203
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0022 0.0337
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0126 0.1751
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0005 0.0237
Schistosoma mansoni hypothetical protein 0.0073 0.008 0.3913
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0022 0.0337
Mycobacterium ulcerans S-adenosyl-L-homocysteine hydrolase 0.0156 0.0204 0.0203
Echinococcus granulosus GPCR family 2 0.0034 0.0022 0.0022
Loa Loa (eye worm) hypothetical protein 0.0022 0.0005 0.0063
Echinococcus granulosus pyruvate kinase 0.0037 0.0026 0.0026
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0005 0.0005
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0005 0.0063
Echinococcus multilocularis pyruvate kinase 0.0029 0.0015 0.0015
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0005 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0005 0.0063
Leishmania major S-adenosylhomocysteine hydrolase 0.0156 0.0204 1
Echinococcus multilocularis pyruvate kinase 0.0037 0.0026 0.0026
Trypanosoma brucei S-adenosylhomocysteine hydrolase, putative 0.0156 0.0204 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.044 0.0625 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0005 0.0063
Plasmodium vivax adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative 0.0156 0.0204 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0005 0.0005
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0026 0.041
Schistosoma mansoni ap endonuclease 0.0019 0.0001 0.0043
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0005 0.0237
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0026 0.0304
Trypanosoma brucei polo-like protein kinase 0.0104 0.0126 0.6164
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.0129 0.2062
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0126 0.6164
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0005 0.0005
Brugia malayi MH2 domain containing protein 0.0131 0.0166 0.2654
Schistosoma mansoni coup transcription factor 0.0022 0.0005 0.0237
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.1909 0.2803 0.2802
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0005 0.0063
Plasmodium falciparum pyruvate kinase 0.0037 0.0026 0.1298
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0005 0.0005
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0005 0.0005
Schistosoma mansoni adenosylhomocysteinase 0.0156 0.0204 1
Schistosoma mansoni adenosylhomocysteinase 0.0097 0.0115 0.5667
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.0166 0.2654
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0048 0.0663
Echinococcus multilocularis adenosylhomocysteinase 0.0156 0.0204 0.0204
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0001 0.0043
Brugia malayi Pyruvate kinase, M2 isozyme 0.0037 0.0026 0.041
Trichomonas vaginalis pyruvate kinase, putative 0.0037 0.0026 0.0358
Onchocerca volvulus 0.0063 0.0066 0.0858
Echinococcus multilocularis thymidine phosphorylase 0.6764 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.0126 0.0126
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.0126 0.1705
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0061 0.0062 0.0062
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0005 0.0063
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0005 0.0063
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0063 0.0066 0.3227
Loa Loa (eye worm) hypothetical protein 0.0022 0.0005 0.0063
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0005 0.0237
Brugia malayi nuclear hormone receptor 0.0022 0.0005 0.0063
Loa Loa (eye worm) hypothetical protein 0.0037 0.0026 0.041
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0005 0.0237
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0005 0.0005
Schistosoma mansoni pyruvate kinase 0.0037 0.0026 0.1298
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0005 0.0237
Toxoplasma gondii S-Adenosyl homocysteine hydrolase 0.0156 0.0204 1
Brugia malayi nuclear receptor NHR-88 0.0022 0.0005 0.0063
Loa Loa (eye worm) hypothetical protein 0.0022 0.0005 0.0063
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0022 0.0022
Chlamydia trachomatis pyruvate kinase 0.0037 0.0026 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0063 0.0066 0.0066
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0005 0.0063
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0005 0.0063
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0026 0.0304
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.1909 0.2803 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0066 0.104
Trichomonas vaginalis set domain proteins, putative 0.0501 0.0715 1
Schistosoma mansoni pyruvate kinase 0.0037 0.0026 0.1298
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0126 0.1751
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0005 0.0237
Loa Loa (eye worm) hypothetical protein 0.0022 0.0005 0.0063
Mycobacterium ulcerans thymidine phosphorylase 0.6764 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0005 0.0063
Brugia malayi steroid hormone receptor 0.0022 0.0005 0.0063
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.0126 0.6164
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0126 0.1751
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0005 0.0063
Toxoplasma gondii adenosylhomocysteinase, putative 0.0156 0.0204 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0126 0.6164
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0048 0.0663
Brugia malayi Pre-SET motif family protein 0.0063 0.0066 0.104
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.0129 0.2062
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0156 0.0204 0.2841
Giardia lamblia Pyruvate kinase 0.0037 0.0026 0.2099
Plasmodium vivax pyruvate kinase, putative 0.0037 0.0026 0.1298
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0001 0.0001
Brugia malayi Adenosylhomocysteinase 0.0156 0.0204 0.3251
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0005 0.0237
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.001 0.0146
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.0026 0.126
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0156 0.0204 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0037 0.0026 0.0026
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0005 0.0005
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0063 0.0066 0.3227
Mycobacterium ulcerans pyruvate kinase 0.0037 0.0026 0.0026
Echinococcus multilocularis pyruvate kinase 0.0037 0.0026 0.0026
Loa Loa (eye worm) adenosylhomocysteinase 0.0156 0.0204 0.3251
Echinococcus granulosus adenosylhomocysteinase 0.0156 0.0204 0.0204
Onchocerca volvulus Pyruvate kinase homolog 0.0037 0.0026 0.0304
Loa Loa (eye worm) hypothetical protein 0.0034 0.0022 0.0337
Toxoplasma gondii exonuclease III APE 0.0019 0.0001 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0005 0.0063
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0005 0.0005
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0005 0.0063
Loa Loa (eye worm) hypothetical protein 0.0022 0.0005 0.0063
Leishmania major pyruvate kinase 0.0037 0.0026 0.126
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0005 0.0063
Echinococcus multilocularis GPCR, family 2 0.0034 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0034 0.0022 0.1076
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.0026 0.126
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.0126 0.2004
Loa Loa (eye worm) hypothetical protein 0.0022 0.0005 0.0063
Toxoplasma gondii pyruvate kinase PyK1 0.0037 0.0026 0.1298
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0005 0.0063
Schistosoma mansoni ap endonuclease 0.0019 0.0001 0.0043
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0022 0.0022
Schistosoma mansoni hypothetical protein 0.0034 0.0022 0.1076
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0005 0.0063
Trypanosoma brucei pyruvate kinase 1 0.0037 0.0026 0.126
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.0129 0.2062
Brugia malayi Pyruvate kinase, muscle isozyme 0.0037 0.0026 0.041
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0005 0.0237
Schistosoma mansoni adenosylhomocysteinase 0.0097 0.0115 0.5667
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0005 0.0063
Trypanosoma cruzi S-adenosylhomocysteine hydrolase, putative 0.0156 0.0204 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0126 0.1751
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0005 0.0005
Loa Loa (eye worm) hypothetical protein 0.0026 0.001 0.0146
Schistosoma mansoni kinase 0.0053 0.005 0.2468
Plasmodium vivax SET domain protein, putative 0.0063 0.0066 0.3227
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0126 0.6181
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0005 0.0005
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0022 0.0337
Schistosoma mansoni hypothetical protein 0.0034 0.0022 0.1076
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0005 0.0005
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0005 0.0063
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.1909 0.2803 0.2802
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0005 0.0005
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0126 0.1751
Entamoeba histolytica adenosylhomocysteinase, putative 0.0156 0.0204 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0005 0.0063
Trypanosoma brucei pyruvate kinase 1, putative 0.0037 0.0026 0.126
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0005 0.0237
Echinococcus granulosus histone lysine methyltransferase setb 0.0063 0.0066 0.0066
Brugia malayi Pre-SET motif family protein 0.044 0.0625 1
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0005 0.0237
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0026 0.041
Schistosoma mansoni adenosylhomocysteinase 0.0097 0.0115 0.5667
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0005 0.0005
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0022 0.0022
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0063 0.0066 0.3227
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.008 0.1263
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0005 0.0237
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0005 0.0063
Schistosoma mansoni adenosylhomocysteinase 0.0097 0.0115 0.5667
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0005 0.0063
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0005 0.0005
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0005 0.0005
Plasmodium falciparum adenosylhomocysteinase 0.0156 0.0204 1
Schistosoma mansoni hypothetical protein 0.0034 0.0022 0.1076
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0005 0.0063
Trichomonas vaginalis adenosylhomocysteinase, putative 0.0156 0.0204 0.2841
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0063 0.0066 0.0066
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.0126 0.0126
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0005 0.0237
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0005 0.0005
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.0126 0.6164
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0005 0.0005
Entamoeba histolytica pyruvate kinase, putative 0.0026 0.001 0.045
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0005 0.0063
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0001 0.0001
Leishmania major pyruvate kinase 0.0037 0.0026 0.126
Mycobacterium leprae putative S-adenosyl-L-homocysteine hydrolase SahH 0.0156 0.0204 0.0638

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 200 ug ml-1 50% effective concentration required to reduce vesicular stomatitis (VSV) virus-induced cytopathicity in HeLa cell cultures ChEMBL. 9171871
EC50 (functional) > 200 ug ml-1 50% effective concentration required to reduce Coxsackie B4 virus-induced cytopathicity in HeLa cell cultures ChEMBL. 9171871
IC50 (functional) = 118 ug ml-1 Cytostatic activity of the compound against human lymphocyte Molt 4/clone 8 cell line ChEMBL. 9171871
IC50 (functional) = 136 ug ml-1 Cytostatic activity of the compound against human lymphocyte CEM cell line ChEMBL. 9171871
IC50 (functional) = 187 ug ml-1 Cytostatic activity of the compound against murine leukemia L1210 cell line ChEMBL. 9171871
IC50 (functional) = 340 ug ml-1 Cytostatic activity of the compound against murine mammary carcinoma FM3A cell line ChEMBL. 9171871
k2 (binding) = 0.036 min-1 Time dependent inhibition of S-Adenosylhomocysteine hydrolase was determined by Kitz and Wilson method ChEMBL. 9171871
Ki (binding) = 101 nM concentration dependent inhibition of S-Adenosylhomocysteine hydrolase was determined by Kitz and Wilson method ChEMBL. 9171871

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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