Detailed information for compound 59202

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: OC1C(/C=N/OCc2ccccc2)OC(C1O)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+
  • InChiKey: IJZVRNLYGCRZES-GEVRCRHISA-N  


Substructure search Similarity search

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

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) = 33 50% Cytostatic concentration required to inhibit human erythroleukemic (HEL) cell proliferartion ChEMBL. 9171871
EC50 (functional) = 2 ug ml-1 50% effective concentration required to reduce vaccinia virus-induced cytopathicity ChEMBL. 9171871
EC50 (functional) > 10 ug ml-1 50% effective concentration required to reduce cytomegalovirus (CMV AD-169 strain)-induced cytopathicity ChEMBL. 9171871
EC50 (functional) > 10 ug ml-1 50% effective concentration required to reduce cytomegalovirus (CMV Davis strain)-induced cytopathicity ChEMBL. 9171871
EC50 (functional) = 20 ug ml-1 50% effective concentration required to reduce influenza A (Ishiwara) virus-induced cytopathicity in Madin-Darby canine kidney (MDCK) cell culture ChEMBL. 9171871
EC50 (functional) = 20 ug ml-1 50% effective concentration required to reduce influenza B (Singapore) virus-induced cytopathicity in Madin-Darby canine kidney (MDCK) cell culture ChEMBL. 9171871
EC50 (functional) > 40 ug ml-1 50% effective concentration required to reduce herpes simplex virus-1 (HSV-1 KOS strain)-induced cytopathicity ChEMBL. 9171871
EC50 (functional) > 40 ug ml-1 50% effective concentration required to reduce herpes simplex virus-2 (HSV-2 G strain)-induced cytopathicity ChEMBL. 9171871
EC50 (functional) > 40 ug ml-1 50% effective concentration required to reduce herpes simplex virus-1 (HSV- (TK) B2006 strain)-induced cytopathicity ChEMBL. 9171871
EC50 (functional) > 40 ug ml-1 50% effective concentration required to reduce herpes simplex virus-1 (HSV- (TK) VMW 1837 strain)-induced cytopathicity ChEMBL. 9171871
EC50 (functional) > 40 ug ml-1 Effective concentration required to reduce vesicular stomatitis virus (VSV)-induced cytopathicity in vero cells ChEMBL. 9171871
EC50 (functional) > 100 ug ml-1 Effective concentration required to reduce sindbis virus-induced cytopathicity in vero cells ChEMBL. 9171871
EC50 (functional) > 100 ug ml-1 Effective concentration required to reduce coxsackie virus B4-induced cytopathicity in vero cells ChEMBL. 9171871
EC50 (functional) > 100 ug ml-1 Effective concentration required to reduce parainfluenza-3-induced cytopathicity in vero cells ChEMBL. 9171871
EC50 (functional) > 100 ug ml-1 Effective concentration required to reduce reovirus-1-induced cytopathicity in vero cells ChEMBL. 9171871
EC50 (functional) > 100 ug ml-1 50% effective concentration required to reduce Punta Toro virus-induced cytopathicity in vero cells ChEMBL. 9171871
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
EC50 (functional) > 200 ug ml-1 50% effective concentration required to reduce respiratory syncytial (RSV) 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
MIC (functional) = 100 Minimum inhibitory concentration required to effect a microscopically visible change of cell morphology in human embryonic skin-muscle (E6SM) cell culture. ChEMBL. 9171871
MIC (functional) = 100 Minimum inhibitory concentration required to effect a microscopically visible change of cell morphology in Madin-Darby canine kidney (MDCK) cell culture . ChEMBL. 9171871
MIC (functional) > 200 Minimum inhibitory concentration required to effect a microscopically visible change of cell morphology in Vero cell culture. ChEMBL. 9171871
MIC (functional) > 200 Minimum inhibitory concentration required to effect a microscopically visible change of cell morphology in HeLa cell culture. ChEMBL. 9171871
Ratio (binding) = 3.6 Ratio of concentration and time dependent inhibition of AdoHcy Hydrolase. 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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