Detailed information for compound 1728581

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 581.039 | Formula: C28H25ClN4O6S
  • H donors: 1 H acceptors: 5 LogP: 5.77 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)C1CCN(CC1)c1cc(Cl)c(cc1[N+](=O)[O-])C(=O)Nc1cc(ccc1OC)c1nc2c(s1)cccc2
  • InChi: 1S/C28H25ClN4O6S/c1-38-24-8-7-17(27-31-20-5-3-4-6-25(20)40-27)13-21(24)30-26(34)18-14-23(33(36)37)22(15-19(18)29)32-11-9-16(10-12-32)28(35)39-2/h3-8,13-16H,9-12H2,1-2H3,(H,30,34)
  • InChiKey: KNUWGELIUSZQRV-UHFFFAOYSA-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
Leishmania major modification methylase-like protein 0.0303 0.2073 0.3255
Brugia malayi Carm1-pending protein 0.0143 0.0875 0.0906
Leishmania major hypothetical protein, conserved 0.0167 0.1049 0.1639
Echinococcus granulosus histone lysine n methyltransferase suv420h1 0.0134 0.0807 0.0836
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0013 0.0008
Trypanosoma brucei histone-lysine n-methyltransferase 0.0167 0.1049 0.1639
Echinococcus granulosus histone lysine n methyltransferase setb1 0.0033 0.0048 0.005
Trypanosoma cruzi spermidine synthase, putative 0.0685 0.4946 0.7791
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0287 0.1957 0.2027
Echinococcus granulosus purine nucleoside phosphorylase 0.0161 0.101 0.1045
Echinococcus granulosus cpg binding protein 0.0205 0.1337 0.1384
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.003 0.0024 0.0014
Brugia malayi Disco-interacting protein 2 homolog 0.0201 0.1307 0.1353
Brugia malayi PHD-finger family protein 0.0029 0.0013 0.0014
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0161 0.101 0.0998
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0064 0.0279 0.0424
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0872 0.6346 0.6571
Echinococcus multilocularis protein arginine methyltransferase 0.003 0.0024 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.0279 0.0424
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0161 0.101 1
Echinococcus granulosus protein arginine N methyltransferase 8 0.003 0.0024 0.0025
Treponema pallidum pfs protein (pfs) 0.0161 0.101 0.5
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.0549 0.3923 0.7064
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.071 0.5134 1
Onchocerca volvulus 0.0228 0.1509 0.1498
Echinococcus granulosus purine nucleoside phosphorylase 0.0161 0.101 0.1045
Loa Loa (eye worm) spermidine synthase 0.0685 0.4946 0.5116
Loa Loa (eye worm) hypothetical protein 0.0228 0.1509 0.1554
Brugia malayi SET domain containing protein 0.0134 0.0807 0.0836
Echinococcus multilocularis purine nucleoside phosphorylase 0.0161 0.101 0.1045
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0127 0.075 0.0767
Brugia malayi NNMT/PNMT/TEMT family protein 0.0886 0.6458 0.6687
Loa Loa (eye worm) hypothetical protein 0.0228 0.1509 0.1554
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0641 0.4612 0.7263
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0013 0.0003
Brugia malayi hypothetical protein 0.0059 0.0238 0.0246
Schistosoma mansoni hepatoma derived growth factor 0.0064 0.0279 0.0279
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0303 0.2073 0.4175
Brugia malayi Bromodomain containing protein 0.0029 0.0013 0.0014
Schistosoma mansoni hypothetical protein 0.0167 0.1053 0.108
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0161 0.101 0.1577
Schistosoma mansoni microtubule-associated protein tau 0.0685 0.4941 0.5111
Leishmania major methylthioadenosine phosphorylase, putative 0.0872 0.6346 1
Loa Loa (eye worm) Carm1-pending protein 0.0143 0.0875 0.0896
Echinococcus granulosus protein arginine methyltransferase 0.003 0.0024 0.0025
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0312 0.2142 0.4316
Schistosoma mansoni hypothetical protein 0.0051 0.0183 0.0178
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0013 0.0014
Schistosoma mansoni cpg binding protein 0.0203 0.1325 0.1362
Schistosoma mansoni uridine phosphorylase 0.0161 0.101 0.1036
Entamoeba histolytica hypothetical protein 0.0064 0.0279 0.1304
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0303 0.2073 0.3255
Echinococcus granulosus geminin 0.0167 0.1053 0.109
Schistosoma mansoni hypothetical protein 0.0064 0.0279 0.0279
Echinococcus granulosus disco interacting protein 2 0.0201 0.1307 0.1353
Brugia malayi Pre-SET motif family protein 0.1244 0.9144 0.9468
Trypanosoma cruzi hypothetical protein, conserved 0.0064 0.0279 0.0424
Trypanosoma cruzi spermidine synthase, putative 0.0685 0.4946 0.7791
Schistosoma mansoni uridine phosphorylase 0.0161 0.101 0.1036
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0059 0.0238 0.0359
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0098 0.0101
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.003 0.0024 0.0045
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0029 0.0013 0.0003
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0295 0.0917
Entamoeba histolytica hypothetical protein 0.0161 0.101 0.4845
Brugia malayi jmjC domain containing protein 0.0036 0.0071 0.0073
Loa Loa (eye worm) hypothetical protein 0.0033 0.0048 0.0039
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1244 0.9144 0.9467
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0073 0.0344 0.0345
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0641 0.4612 0.4776
Echinococcus granulosus purine nucleoside phosphorylase 0.0161 0.101 0.1045
Echinococcus granulosus methyltransferase protein 5 0.0028 0.0011 0.0011
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0641 0.4612 0.7263
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0161 0.101 0.1
Echinococcus granulosus histone lysine methyltransferase setb 0.0186 0.1192 0.1234
Echinococcus granulosus purine nucleoside phosphorylase 0.0161 0.101 0.1045
Brugia malayi PWWP domain containing protein 0.0064 0.0279 0.0289
Echinococcus granulosus purine nucleoside phosphorylase 0.0161 0.101 0.1045
Schistosoma mansoni methylthioadenosine phosphorylase 0.0872 0.6346 0.6567
Toxoplasma gondii hypothetical protein 0.0441 0.3114 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0071 0.0062
Onchocerca volvulus 0.0064 0.0279 0.0267
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0059 0.0238 0.0359
Echinococcus multilocularis PWWP domain containing protein 2A 0.0064 0.0279 0.0289
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0143 0.0875 0.0906
Echinococcus multilocularis purine nucleoside phosphorylase 0.0161 0.101 0.1045
Plasmodium falciparum purine nucleoside phosphorylase 0.0161 0.101 0.202
Schistosoma mansoni cpg binding protein 0.0205 0.1337 0.1375
Plasmodium vivax spermidine synthase, putative 0.0685 0.4946 1
Echinococcus granulosus DNA methyltransferase 2, putative 0.0303 0.2073 0.2146
Echinococcus multilocularis cpg binding protein 0.0205 0.1337 0.1384
Brugia malayi hypothetical protein 0.0228 0.1509 0.1563
Schistosoma mansoni protein arginine N-methyltransferase 1 0.003 0.0024 0.0014
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0094 0.0505 0.0523
Echinococcus granulosus protein arginine N methyltransferase 7 0.0028 0.0011 0.0011
Echinococcus multilocularis purine nucleoside phosphorylase 0.0161 0.101 0.1045
Loa Loa (eye worm) hypothetical protein 0.0228 0.1509 0.1554
Schistosoma mansoni protein arginine n-methyltransferase 0.0143 0.0875 0.0896
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0872 0.6346 1
Echinococcus granulosus jumonji domain containing protein 0.004 0.0098 0.0101
Brugia malayi F/Y-rich N-terminus family protein 0.003 0.0026 0.0027
Schistosoma mansoni enhancer of zeste ezh 0.0287 0.1957 0.2018
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0641 0.4612 0.477
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0186 0.1192 0.1234
Brugia malayi SET domain containing protein 0.0287 0.1957 0.2027
Brugia malayi Spermidine synthase 0.0685 0.4946 0.5122
Echinococcus multilocularis spermidine synthase 0.0685 0.4946 0.5122
Brugia malayi Protein arginine N-methyltransferase 0.0028 0.0011 0.0011
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0641 0.4612 0.4776
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0161 0.101 0.1
Echinococcus multilocularis histone lysine n methyltransferase suv420h1 0.0134 0.0807 0.0836
Schistosoma mansoni SET domain protein 0.0079 0.0389 0.0392
Leishmania major hypothetical protein, conserved 0.0167 0.1049 0.1639
Leishmania major hypothetical protein, conserved 0.0064 0.0279 0.0424
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0303 0.2073 0.2138
Trypanosoma brucei uridine phosphorylase 0.0161 0.101 0.1577
Schistosoma mansoni phd finger protein 0.0064 0.0279 0.0279
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0143 0.0875 0.2785
Loa Loa (eye worm) PWWP domain-containing protein 0.0064 0.0279 0.0279
Schistosoma mansoni purine nucleoside phosphorylase 0.0161 0.101 0.1036
Schistosoma mansoni methylthioadenosine phosphorylase 0.0872 0.6346 0.6567
Toxoplasma gondii hypothetical protein 0.0167 0.1049 0.3346
Echinococcus multilocularis uridine phosphorylase 1 0.0161 0.101 0.1045
Onchocerca volvulus 0.0203 0.1325 0.1313
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.003 0.0024 0.0014
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0303 0.2073 0.2146
Loa Loa (eye worm) hypothetical protein 0.0106 0.0596 0.0607
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0243 0.0241
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0303 0.2073 1
Schistosoma mansoni hypothetical protein 0.0064 0.0279 0.0279
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0161 0.101 0.1
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.003 0.0024 0.0023
Echinococcus granulosus histone h3 methyltransferase 0.1312 0.9658 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0071 0.0062
Echinococcus granulosus purine nucleoside phosphorylase 0.0161 0.101 0.1045
Schistosoma mansoni hepatoma derived growth factor 0.0064 0.0279 0.0279
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0872 0.6346 0.6567
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0161 0.101 0.1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0094 0.0505 0.0523
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0077 0.0377 0.039
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0059 0.0238 0.1103
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0161 0.101 0.4845
Echinococcus granulosus hepatoma derived growth factor protein 0.0064 0.0279 0.0289
Onchocerca volvulus 0.0115 0.0661 0.0649
Schistosoma mansoni methylthioadenosine phosphorylase 0.0161 0.101 0.1036
Loa Loa (eye worm) hypothetical protein 0.0201 0.1307 0.1344
Echinococcus granulosus spermidine synthase 0.0685 0.4946 0.5122
Loa Loa (eye worm) hypothetical protein 0.0029 0.0013 0.0003
Schistosoma mansoni hypothetical protein 0.0029 0.0013 0.0003
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0312 0.2142 0.4316
Trypanosoma cruzi spermidine synthase, putative 0.0685 0.4946 0.7791
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0161 0.101 0.4845
Trypanosoma cruzi histone-lysine N-methyltransferase, putative 0.0167 0.1049 0.1639
Brugia malayi CXXC zinc finger family protein 0.0203 0.1325 0.1371
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0641 0.4612 0.4776
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0161 0.101 0.5
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0641 0.4612 0.7263
Loa Loa (eye worm) hypothetical protein 0.0059 0.0238 0.0236
Plasmodium falciparum protein arginine N-methyltransferase 1 0.003 0.0024 0.0023
Echinococcus multilocularis histone lysine n methyltransferase setb1 0.0033 0.0048 0.005
Brugia malayi jmjC domain containing protein 0.0094 0.0505 0.0523
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0161 0.101 0.4845
Toxoplasma gondii PHD-finger domain-containing protein 0.0029 0.0013 0.0008
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0028 0.0011 0.0011
Trichomonas vaginalis conserved hypothetical protein 0.0161 0.101 0.1
Leishmania major spermidine synthase 0.0685 0.4946 0.7791
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0127 0.075 0.0777
Toxoplasma gondii phosphorylase family protein 0.0161 0.101 0.3219
Echinococcus granulosus PWWP domain containing protein 2A 0.0064 0.0279 0.0289
Schistosoma mansoni suppressor of variegation 4-20-related 0.0134 0.0807 0.0826
Brugia malayi hypothetical protein 0.0228 0.1509 0.1563
Brugia malayi uridine phosphorylase family protein 0.0161 0.101 0.1045
Schistosoma mansoni histone J3 methyltransferase 0.1312 0.9658 1
Echinococcus multilocularis peregrin 0.0093 0.0495 0.0513
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0161 0.101 0.5
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0287 0.1957 0.2027
Echinococcus multilocularis protein arginine N methyltransferase 8 0.003 0.0024 0.0025
Mycobacterium ulcerans spermidine synthase 0.0549 0.3923 0.5459
Loa Loa (eye worm) SET domain-containing protein 0.0287 0.1957 0.2018
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0161 0.101 1
Echinococcus multilocularis microtubule associated protein 2 0.0685 0.4941 0.5116
Loa Loa (eye worm) hypothetical protein 0.0886 0.6458 0.6684
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0161 0.101 0.1
Loa Loa (eye worm) hypothetical protein 0.0111 0.0629 0.0641
Echinococcus multilocularis purine nucleoside phosphorylase 0.0161 0.101 0.1045
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0161 0.101 0.1045
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0161 0.101 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0059 0.0061
Echinococcus granulosus purine nucleoside phosphorylase 0.0161 0.101 0.1045
Brugia malayi SET domain containing protein 0.0119 0.0693 0.0717
Schistosoma mansoni cpg binding protein 0.0205 0.1337 0.1375
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0161 0.101 0.1
Leishmania major histone-lysine N-methyltransferase, putative 0.0167 0.1049 0.1639
Brugia malayi MTAP 0.0872 0.6346 0.6571
Brugia malayi SET domain containing protein 0.0038 0.0081 0.0084
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0071 0.0073
Trypanosoma cruzi spermidine synthase, putative 0.0685 0.4946 0.7791
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0441 0.3114 0.6286
Chlamydia trachomatis AMP nucleosidase 0.0161 0.101 0.5
Leishmania major S-adenosylmethionine decarboxylase 0.0641 0.4612 0.7263
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0161 0.101 0.202
Onchocerca volvulus 0.0233 0.1549 0.1538
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0161 0.101 0.4845
Echinococcus granulosus microtubule associated protein 2 0.0685 0.4941 0.5116
Onchocerca volvulus 0.0201 0.1307 0.1296
Schistosoma mansoni hypothetical protein 0.0064 0.0279 0.0279
Trypanosoma brucei transcription elongation factor s-II, putative 0.0064 0.0279 0.0424
Toxoplasma gondii hypothetical protein 0.0064 0.0279 0.0866
Brugia malayi hypothetical protein 0.0064 0.0279 0.0289
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0186 0.1192 0.1224
Entamoeba histolytica hypothetical protein 0.0059 0.0238 0.1103
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0161 0.101 0.1577
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0641 0.4612 0.7263
Loa Loa (eye worm) SET domain-containing protein 0.0134 0.0807 0.0826
Schistosoma mansoni hypothetical protein 0.0167 0.1053 0.108
Loa Loa (eye worm) uridine phosphorylase 0.0161 0.101 0.1036
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0167 0.1049 0.1639
Schistosoma mansoni protein arginine N-methyltransferase 1 0.003 0.0024 0.0014
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0641 0.4612 0.7263
Echinococcus multilocularis hepatoma derived growth factor protein 0.0064 0.0279 0.0289
Loa Loa (eye worm) CXXC zinc finger family protein 0.0203 0.1325 0.1362
Onchocerca volvulus 0.0064 0.0279 0.0267
Schistosoma mansoni jumonji domain containing protein 0.0075 0.0359 0.0361
Echinococcus granulosus uridine phosphorylase 1 0.0161 0.101 0.1045
Leishmania major nucleoside phosphorylase-like protein 0.0161 0.101 0.1577
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.1312 0.9658 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0147 0.0904 0.0936
Loa Loa (eye worm) hypothetical protein 0.0049 0.0167 0.0163
Plasmodium vivax histone-lysine N-methyltransferase, putative 0.0083 0.0418 0.082
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0013 0.0003
Schistosoma mansoni purine nucleoside phosphorylase 0.0161 0.101 0.1036
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0186 0.1192 0.1224
Trypanosoma brucei spermidine synthase 0.0685 0.4946 0.7791
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0059 0.0238 0.0359
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0143 0.0875 0.0906
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.003 0.0024 0.0014
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0161 0.101 0.1577
Treponema pallidum uridine phosphorylase (udp) 0.0161 0.101 0.5
Echinococcus multilocularis geminin 0.0167 0.1053 0.109
Loa Loa (eye worm) hypothetical protein 0.0064 0.0279 0.0279
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0013 0.0014
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0161 0.101 0.1
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0303 0.2073 0.6645
Mycobacterium leprae probable uridine phosphorylase 0.0161 0.101 0.5
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0872 0.6346 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0127 0.075 0.2384
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0233 0.1549 0.1595
Echinococcus granulosus SET and MYND domain containing protein 3 0.007 0.0321 0.0332
Brugia malayi hypothetical protein 0.0064 0.0279 0.0289
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0071 0.0062
Echinococcus granulosus PWWP domain containing protein 2A 0.0064 0.0279 0.0289
Loa Loa (eye worm) hypothetical protein 0.0886 0.6458 0.6684
Plasmodium vivax SET domain protein, putative 0.0127 0.075 0.1494
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0161 0.101 0.1
Toxoplasma gondii phosphorylase family protein 0.0161 0.101 0.3219
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0161 0.101 0.4845
Plasmodium falciparum spermidine synthase 0.0685 0.4946 1
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0083 0.0418 0.082
Echinococcus granulosus methylthioadenosine phosphorylase 0.0872 0.6346 0.6571
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0064 0.0279 0.0424
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0077 0.0377 0.039
Echinococcus multilocularis SET and MYND domain containing protein 3 0.007 0.0321 0.0332
Giardia lamblia UPL-1 0.0161 0.101 1
Trypanosoma brucei Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0167 0.1049 0.1639
Loa Loa (eye worm) hypothetical protein 0.0068 0.0307 0.0307
Echinococcus multilocularis purine nucleoside phosphorylase 0.0161 0.101 0.1045
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0064 0.0279 0.0424
Echinococcus multilocularis PWWP domain containing protein 2A 0.0064 0.0279 0.0289
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0161 0.101 0.4845
Schistosoma mansoni protein arginine N-methyltransferase 1 0.003 0.0024 0.0014
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0872 0.6346 1
Brugia malayi Pre-SET motif family protein 0.016 0.1001 0.1037
Loa Loa (eye worm) hypothetical protein 0.1312 0.9658 1
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.0167 0.1049 0.1639
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0201 0.1307 0.1344
Echinococcus granulosus purine nucleoside phosphorylase 0.0161 0.101 0.1045
Echinococcus multilocularis histone h3 methyltransferase 0.1312 0.9658 1
Loa Loa (eye worm) hypothetical protein 0.0186 0.1192 0.1224
Echinococcus granulosus peregrin 0.0093 0.0495 0.0513
Trichomonas vaginalis conserved hypothetical protein 0.0161 0.101 0.1
Toxoplasma gondii Purine nucleoside phosphorylase 0.0161 0.101 0.3219
Trypanosoma brucei Histone methylation protein DOT1, putative 0.0167 0.1049 0.1639
Trypanosoma cruzi Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.0167 0.1049 0.1639
Toxoplasma gondii DNA methyltransferase 2, putative 0.0303 0.2073 0.6645
Echinococcus multilocularis purine nucleoside phosphorylase 0.0161 0.101 0.1045
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0303 0.2073 0.4175
Echinococcus multilocularis disco interacting protein 2 0.0201 0.1307 0.1353
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0886 0.6458 0.6684
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0872 0.6346 1
Leishmania major arginine N-methyltransferase-like protein 0.003 0.0024 0.0022

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.72 uM Antitrypanosomal activity against Trypanosoma brucei brucei 221 after 48 hrs by Cell Titre Glo assay ChEMBL. 23484493
EC50 (ADMET) > 25 uM Cytotoxicity against human HepG2 cells after 72 hrs by Cell Titre Glo assay ChEMBL. 23484493

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma brucei gambiense 23484493

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

No literature references available for this target.

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