Detailed information for compound 519233

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 486.566 | Formula: C27H30N6O3
  • H donors: 1 H acceptors: 4 LogP: 3.04 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1nc(nc(c1)n1nc(cc1C)C)c1ccc(o1)C)Cc1ccc(cc1)CN1CCOCC1
  • InChi: 1S/C27H30N6O3/c1-18-14-19(2)33(31-18)25-16-24(29-27(30-25)23-9-4-20(3)36-23)28-26(34)15-21-5-7-22(8-6-21)17-32-10-12-35-13-11-32/h4-9,14,16H,10-13,15,17H2,1-3H3,(H,28,29,30,34)
  • InChiKey: BZWHCCBCMLZMRR-UHFFFAOYSA-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 adenosine A2a receptor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi follicle stimulating hormone receptor adenosine A2a receptor 412 aa 336 aa 22.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0032 0.0021 0.0012
Toxoplasma gondii hypothetical protein 0.0424 0.2394 1
Schistosoma mansoni protein arginine n-methyltransferase 0.0153 0.0752 0.1753
Echinococcus multilocularis purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0089 0.0365 0.0907
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.0211 0.0518
Brugia malayi SET domain containing protein 0.0302 0.1652 0.1817
Brugia malayi PWWP domain containing protein 0.0064 0.0211 0.0232
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0227 0.1201 0.2829
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0429 0.2423 0.6185
Schistosoma mansoni hypothetical protein 0.0178 0.0905 0.2114
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0153 0.0752 0.3114
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0814
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0229 0.1212 0.3623
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0052 0.0141 0.013
Loa Loa (eye worm) hypothetical protein 0.0224 0.1184 0.1293
Echinococcus granulosus purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0193 0.0995 0.2327
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0297 0.1626 0.4138
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0281 0.1527 0.3889
Loa Loa (eye worm) hypothetical protein 0.0113 0.0512 0.0553
Echinococcus granulosus uridine phosphorylase 1 0.0052 0.0141 0.0331
Schistosoma mansoni histone J3 methyltransferase 0.0388 0.2174 0.511
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0164 0.0822 0.1935
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0063 0.0204 0.0501
Echinococcus granulosus hepatoma derived growth factor protein 0.0064 0.0211 0.0498
Plasmodium vivax histone-lysine N-methyltransferase, putative 0.0089 0.0365 0.0907
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0032 0.0021 0.0012
Echinococcus multilocularis hepatoma derived growth factor protein 0.0064 0.0211 0.0498
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0227 0.1201 0.2813
Giardia lamblia UPL-1 0.0052 0.0141 1
Schistosoma mansoni microtubule-associated protein tau 0.073 0.4246 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0132
Schistosoma mansoni hypothetical protein 0.0064 0.0211 0.0477
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0011 0.0009
Trypanosoma cruzi Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0049 0.0124 0.0294
Mycobacterium leprae probable uridine phosphorylase 0.0052 0.0141 0.5
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0132
Brugia malayi hypothetical protein 0.0224 0.1184 0.1302
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.01 0.0434 0.1021
Onchocerca volvulus 0.0064 0.0211 0.02
Schistosoma mansoni hypothetical protein 0.0031 0.0011 0.0005
Echinococcus granulosus PWWP domain containing protein 2A 0.0064 0.0211 0.0498
Brugia malayi hypothetical protein 0.0224 0.1184 0.1302
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0064 0.0211 0.0518
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0032 0.0021 0.0028
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0011 0.0009
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0332
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0814
Trypanosoma brucei histone-lysine n-methyltransferase 0.0049 0.0124 0.0294
Plasmodium vivax SET domain protein, putative 0.0164 0.0822 0.2077
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0063 0.0204 0.1209
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0052 0.0141 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Leishmania major histone-lysine N-methyltransferase, putative 0.0049 0.0124 0.0294
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0297 0.1626 0.4142
Loa Loa (eye worm) SET domain-containing protein 0.0144 0.07 0.076
Brugia malayi Pre-SET motif family protein 0.02 0.1037 0.114
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0153 0.0752 0.1771
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0132
Echinococcus granulosus protein arginine N methyltransferase 7 0.003 0.0009 0.0021
Echinococcus granulosus disco interacting protein 2 0.0193 0.0995 0.2343
Echinococcus granulosus cpg binding protein 0.02 0.1037 0.2442
Echinococcus multilocularis protein arginine methyltransferase 0.0032 0.0021 0.005
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0052 0.0141 0.0814
Echinococcus multilocularis spermidine synthase 0.0675 0.3912 0.9214
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0429 0.2423 0.5707
Echinococcus granulosus protein arginine methyltransferase 0.0032 0.0021 0.005
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0429 0.2423 0.6185
Echinococcus multilocularis protein arginine N methyltransferase 7 0.003 0.0009 0.0021
Loa Loa (eye worm) hypothetical protein 0.0036 0.0041 0.0035
Schistosoma mansoni uridine phosphorylase 0.0052 0.0141 0.0311
Echinococcus granulosus SET and MYND domain containing protein 3 0.0074 0.0276 0.0649
Echinococcus granulosus protein arginine N methyltransferase 8 0.0032 0.0021 0.005
Trypanosoma brucei Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0049 0.0124 0.0294
Schistosoma mansoni hepatoma derived growth factor 0.0064 0.0211 0.0477
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0209 0.1091 0.2767
Echinococcus multilocularis PWWP domain containing protein 2A 0.0064 0.0211 0.0498
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0297 0.1626 0.6778
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0078 0.0301 0.0708
Echinococcus granulosus spermidine synthase 0.0675 0.3912 0.9214
Echinococcus granulosus histone h3 methyltransferase 0.0388 0.2174 0.512
Leishmania major modification methylase-like protein 0.0297 0.1626 0.4142
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0185 0.0948 0.2232
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0945 0.555 0.6099
Trichomonas vaginalis set domain proteins, putative 0.168 1 1
Loa Loa (eye worm) uridine phosphorylase 0.0052 0.0141 0.0145
Entamoeba histolytica hypothetical protein 0.0064 0.0211 0.1251
Brugia malayi SET domain containing protein 0.0128 0.0601 0.0661
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0052 0.0141 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0052 0.0141 0.0337
Loa Loa (eye worm) hypothetical protein 0.0064 0.0211 0.0223
Echinococcus granulosus purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Brugia malayi hypothetical protein 0.0064 0.0211 0.0232
Plasmodium falciparum purine nucleoside phosphorylase 0.0052 0.0141 0.0332
Echinococcus granulosus histone lysine methyltransferase setb 0.0227 0.1201 0.2829
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.0211 0.0518
Echinococcus multilocularis cpg binding protein 0.02 0.1037 0.2442
Leishmania major nucleoside phosphorylase-like protein 0.0052 0.0141 0.0337
Schistosoma mansoni cpg binding protein 0.02 0.1037 0.2426
Mycobacterium ulcerans spermidine synthase 0.054 0.3098 1
Echinococcus multilocularis histone lysine n methyltransferase suv420h1 0.0144 0.07 0.1648
Schistosoma mansoni hypothetical protein 0.0178 0.0905 0.2114
Loa Loa (eye worm) CXXC zinc finger family protein 0.0198 0.1026 0.112
Loa Loa (eye worm) hypothetical protein 0.0031 0.0011 0.0002
Brugia malayi F/Y-rich N-terminus family protein 0.0033 0.0028 0.0031
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.01 0.0434 0.1021
Echinococcus granulosus purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Loa Loa (eye worm) hypothetical protein 0.0119 0.0547 0.0592
Leishmania major spermidine synthase 0.0675 0.3912 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.153 0.9094 1
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.054 0.3098 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Entamoeba histolytica hypothetical protein 0.0052 0.0141 0.0814
Leishmania major arginine N-methyltransferase-like protein 0.0032 0.0021 0.0031
Schistosoma mansoni enhancer of zeste ezh 0.0302 0.1652 0.3879
Echinococcus multilocularis microtubule associated protein 2 0.073 0.4246 1
Trypanosoma cruzi spermidine synthase, putative 0.0675 0.3912 1
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0063 0.0204 0.0501
Brugia malayi jmjC domain containing protein 0.01 0.0434 0.0477
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0064 0.0211 0.0518
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0132
Treponema pallidum pfs protein (pfs) 0.0052 0.0141 0.5
Loa Loa (eye worm) hypothetical protein 0.0388 0.2174 0.2383
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0061 0.0122
Trypanosoma cruzi histone-lysine N-methyltransferase, putative 0.0049 0.0124 0.0294
Treponema pallidum uridine phosphorylase (udp) 0.0052 0.0141 0.5
Echinococcus multilocularis geminin 0.0178 0.0905 0.2131
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0297 0.1626 1
Loa Loa (eye worm) spermidine synthase 0.0675 0.3912 0.4296
Echinococcus granulosus purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Loa Loa (eye worm) SET domain-containing protein 0.0302 0.1652 0.1809
Schistosoma mansoni jumonji domain containing protein 0.008 0.0309 0.0707
Echinococcus granulosus PWWP domain containing protein 2A 0.0064 0.0211 0.0498
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0032 0.0021 0.0025
Brugia malayi SET domain containing protein 0.0144 0.07 0.077
Echinococcus multilocularis purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0429 0.2423 0.2664
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0281 0.1527 0.1671
Loa Loa (eye worm) hypothetical protein 0.0945 0.555 0.6099
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0084 0.0198
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0814
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0064 0.0211 0.0518
Echinococcus granulosus purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0032 0.0021 0.0028
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0052 0.0141 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0079 0.0301 0.069
Schistosoma mansoni purine nucleoside phosphorylase 0.0052 0.0141 0.0311
Loa Loa (eye worm) hypothetical protein 0.0063 0.0204 0.0215
Echinococcus multilocularis histone lysine n methyltransferase setb1 0.0036 0.0041 0.0097
Toxoplasma gondii DNA methyltransferase 2, putative 0.0297 0.1626 0.6778
Loa Loa (eye worm) hypothetical protein 0.0224 0.1184 0.1293
Trypanosoma cruzi spermidine synthase, putative 0.0675 0.3912 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Loa Loa (eye worm) hypothetical protein 0.0224 0.1184 0.1293
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0209 0.1091 0.2767
Onchocerca volvulus 0.0123 0.0568 0.0558
Schistosoma mansoni SET domain protein 0.008 0.0311 0.0713
Schistosoma mansoni methylthioadenosine phosphorylase 0.0281 0.1527 0.3583
Echinococcus multilocularis disco interacting protein 2 0.0193 0.0995 0.2343
Schistosoma mansoni cpg binding protein 0.0198 0.1026 0.2401
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0814
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0429 0.2423 0.5707
Brugia malayi Protein arginine N-methyltransferase 0.003 0.0009 0.001
Echinococcus multilocularis PWWP domain containing protein 2A 0.0064 0.0211 0.0498
Brugia malayi Spermidine synthase 0.0675 0.3912 0.4302
Echinococcus granulosus geminin 0.0178 0.0905 0.2131
Loa Loa (eye worm) hypothetical protein 0.0072 0.0264 0.028
Schistosoma mansoni uridine phosphorylase 0.0052 0.0141 0.0311
Brugia malayi Bromodomain containing protein 0.0031 0.0011 0.0012
Schistosoma mansoni methylthioadenosine phosphorylase 0.0281 0.1527 0.3583
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0049 0.0124 0.0294
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0052 0.0141 0.0155
Echinococcus multilocularis purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Schistosoma mansoni hypothetical protein 0.0064 0.0211 0.0477
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0302 0.1652 0.3892
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0061 0.0143
Brugia malayi PHD-finger family protein 0.0031 0.0011 0.0012
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0011 0.0002
Toxoplasma gondii hypothetical protein 0.0049 0.0124 0.0481
Schistosoma mansoni purine nucleoside phosphorylase 0.0052 0.0141 0.0311
Trypanosoma brucei Histone methylation protein DOT1, putative 0.0049 0.0124 0.0294
Loa Loa (eye worm) hypothetical protein 0.0945 0.555 0.6099
Onchocerca volvulus 0.0198 0.1026 0.1016
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0429 0.2423 0.6185
Echinococcus multilocularis uridine phosphorylase 1 0.0052 0.0141 0.0331
Leishmania major S-adenosylmethionine decarboxylase 0.0429 0.2423 0.6185
Schistosoma mansoni cpg binding protein 0.02 0.1037 0.2426
Schistosoma mansoni methylthioadenosine phosphorylase 0.0052 0.0141 0.0311
Schistosoma mansoni hypothetical protein 0.0055 0.0157 0.0349
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0052 0.0141 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0132
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0052 0.0141 0.0132
Trypanosoma brucei uridine phosphorylase 0.0052 0.0141 0.0337
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0061 0.0122
Echinococcus granulosus histone lysine n methyltransferase suv420h1 0.0144 0.07 0.1648
Echinococcus granulosus methyltransferase protein 5 0.003 0.0009 0.0021
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0084 0.0198
Trypanosoma brucei transcription elongation factor s-II, putative 0.0064 0.0211 0.0518
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0032 0.0021 0.0025
Echinococcus granulosus peregrin 0.0094 0.0397 0.0935
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0052 0.0141 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0424 0.2394 0.6108
Echinococcus multilocularis SET and MYND domain containing protein 3 0.0074 0.0276 0.0649
Brugia malayi hypothetical protein 0.0064 0.0211 0.0232
Loa Loa (eye worm) Carm1-pending protein 0.0153 0.0752 0.0817
Echinococcus multilocularis histone h3 methyltransferase 0.0388 0.2174 0.512
Brugia malayi Pre-SET motif family protein 0.153 0.9094 1
Loa Loa (eye worm) hypothetical protein 0.0227 0.1201 0.1312
Leishmania major hypothetical protein, conserved 0.0049 0.0124 0.0294
Brugia malayi hypothetical protein 0.0063 0.0204 0.0225
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0814
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0297 0.1626 0.3829
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0049 0.0124 0.0294
Onchocerca volvulus 0.0193 0.0995 0.0985
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0281 0.1527 0.4688
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0132
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0061 0.0057
Echinococcus multilocularis purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0153 0.0752 0.1771
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0052 0.0141 0.0132
Trypanosoma cruzi spermidine synthase, putative 0.0675 0.3912 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0052 0.0141 0.0337
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0281 0.1527 0.3889
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.005 0.0119
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0141 0.0132
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0011 0.0027
Onchocerca volvulus 0.0064 0.0211 0.02
Schistosoma mansoni phd finger protein 0.0064 0.0211 0.0477
Toxoplasma gondii Purine nucleoside phosphorylase 0.0052 0.0141 0.0552
Echinococcus granulosus purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Plasmodium vivax spermidine synthase, putative 0.0675 0.3912 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0032 0.0017 0.002
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0278 0.1508 0.3538
Echinococcus granulosus microtubule associated protein 2 0.073 0.4246 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0227 0.1201 0.2813
Brugia malayi Carm1-pending protein 0.0153 0.0752 0.0827
Plasmodium falciparum spermidine synthase 0.0675 0.3912 1
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0078 0.0301 0.0708
Brugia malayi Disco-interacting protein 2 homolog 0.0193 0.0995 0.1094
Loa Loa (eye worm) PWWP domain-containing protein 0.0064 0.0211 0.0223
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0011 0.0027
Loa Loa (eye worm) jmjC domain-containing protein 0.0063 0.0209 0.022
Schistosoma mansoni suppressor of variegation 4-20-related 0.0144 0.07 0.163
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0032 0.0021 0.005
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0388 0.2174 0.2391
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0297 0.1626 0.3815
Trypanosoma cruzi spermidine synthase, putative 0.0675 0.3912 1
Echinococcus granulosus DNA methyltransferase 2, putative 0.0297 0.1626 0.3829
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0281 0.1527 0.3889
Echinococcus multilocularis peregrin 0.0094 0.0397 0.0935
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0297 0.1626 0.4138
Trypanosoma brucei spermidine synthase 0.0675 0.3912 1
Toxoplasma gondii hypothetical protein 0.0064 0.0211 0.0848
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0429 0.2423 0.6185
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0032 0.0021 0.0028
Brugia malayi MTAP 0.0281 0.1527 0.1679
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0052 0.0141 0.0337
Brugia malayi uridine phosphorylase family protein 0.0052 0.0141 0.0155
Loa Loa (eye worm) hypothetical protein 0.0193 0.0995 0.1085
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0281 0.1527 0.3597
Echinococcus granulosus purine nucleoside phosphorylase 0.0052 0.0141 0.0331
Schistosoma mansoni hepatoma derived growth factor 0.0064 0.0211 0.0477
Brugia malayi jmjC domain containing protein 0.0039 0.0061 0.0067
Toxoplasma gondii histone lysine methyltransferase SET1 0.0072 0.026 0.1051
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0011 0.0005
Echinococcus granulosus histone lysine n methyltransferase setb1 0.0036 0.0041 0.0097
Toxoplasma gondii phosphorylase family protein 0.0052 0.0141 0.0552
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0032 0.0021 0.0012
Leishmania major methylthioadenosine phosphorylase, putative 0.0281 0.1527 0.3889
Brugia malayi SET domain containing protein 0.0039 0.006 0.0067
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0032 0.0021 0.005
Leishmania major hypothetical protein, conserved 0.0064 0.0211 0.0518
Echinococcus granulosus methylthioadenosine phosphorylase 0.0281 0.1527 0.3597
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0164 0.0822 0.3407
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0141 0.0132
Toxoplasma gondii phosphorylase family protein 0.0052 0.0141 0.0552
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0063 0.0204 0.0501
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0429 0.2423 0.6185
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0164 0.0822 0.1918
Leishmania major hypothetical protein, conserved 0.0049 0.0124 0.0294
Onchocerca volvulus 0.0224 0.1184 0.1174
Brugia malayi NNMT/PNMT/TEMT family protein 0.0945 0.555 0.6103
Loa Loa (eye worm) hypothetical protein 0.0053 0.0144 0.0148
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0429 0.2423 0.2657
Onchocerca volvulus 0.0278 0.1508 0.1498
Entamoeba histolytica hypothetical protein 0.0063 0.0204 0.1209
Chlamydia trachomatis AMP nucleosidase 0.0052 0.0141 0.5
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0302 0.1652 0.3892
Brugia malayi CXXC zinc finger family protein 0.0198 0.1026 0.1129
Schistosoma mansoni hypothetical protein 0.0064 0.0211 0.0477

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 0.8 nM Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells ChEMBL. 18249540
Ki (binding) = 0.8 nM Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells ChEMBL. 18249540
Selectivity ratio (binding) = 179 Selectivity for human adenosine A2A receptor over human adenosine A1 receptor ChEMBL. 18249540

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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