Detailed information for compound 148972

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 587.655 | Formula: C31H39F2N3O6
  • H donors: 4 H acceptors: 6 LogP: 4.52 Rotable bonds: 20
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@H](C(=O)N[C@H](C(=O)NC(C(=O)C(CCCc1ccccc1)(F)F)CC(=O)O)C)C(C)C)CCc1ccccc1
  • InChi: 1S/C31H39F2N3O6/c1-20(2)27(36-25(37)17-16-23-13-8-5-9-14-23)30(42)34-21(3)29(41)35-24(19-26(38)39)28(40)31(32,33)18-10-15-22-11-6-4-7-12-22/h4-9,11-14,20-21,24,27H,10,15-19H2,1-3H3,(H,34,42)(H,35,41)(H,36,37)(H,38,39)/t21-,24?,27-/m0/s1
  • InChiKey: DQJAVJYAPFDZFM-SXVPRHBSSA-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 caspase 1, apoptosis-related cysteine peptidase Starlite/ChEMBL No 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
Echinococcus granulosus caspase 8 caspase 1, apoptosis-related cysteine peptidase 383 aa 312 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni suppressor of variegation 4-20-related 0.0147 0.07 0.163
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0079 0.0294 0.5
Echinococcus granulosus purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Brugia malayi NNMT/PNMT/TEMT family protein 0.0962 0.555 0.6103
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0079 0.0294 0.1239
Schistosoma mansoni methylthioadenosine phosphorylase 0.0425 0.2354 0.5535
Echinococcus multilocularis histone lysine n methyltransferase setb1 0.0036 0.0041 0.0097
Brugia malayi polybromodomain protein 0.0031 0.0011 0.0013
Schistosoma mansoni hypothetical protein 0.0031 0.0011 0.0005
Brugia malayi Cell death protein 3 precursor 0.0071 0.0249 0.0274
Loa Loa (eye worm) hypothetical protein 0.0071 0.0249 0.0264
Echinococcus granulosus bromo adjacent y domain containing 1 0.0031 0.0011 0.0027
Loa Loa (eye worm) CXXC zinc finger family protein 0.0266 0.141 0.1542
Loa Loa (eye worm) hypothetical protein 0.0064 0.0204 0.0215
Brugia malayi ELM2 domain containing protein 0.0031 0.0011 0.0013
Trypanosoma cruzi MIZ/SP-RING zinc finger, putative 0.0089 0.0358 0.0893
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0084 0.0198
Echinococcus multilocularis purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Schistosoma mansoni purine nucleoside phosphorylase 0.0079 0.0294 0.0672
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0033 0.0021 0.0025
Loa Loa (eye worm) hypothetical protein 0.005 0.0122 0.0124
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0436 0.2422 0.6185
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0213 0.109 0.2767
Schistosoma mansoni hypothetical protein 0.0089 0.0358 0.0823
Echinococcus multilocularis polybromo 1 0.0031 0.0011 0.0027
Brugia malayi hypothetical protein 0.0064 0.0204 0.0225
Loa Loa (eye worm) hypothetical protein 0.0394 0.2172 0.2381
Onchocerca volvulus 0.0089 0.0358 0.0347
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0033 0.0021 0.0012
Echinococcus multilocularis hepatoma derived growth factor protein 0.0089 0.0358 0.0842
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0011 0.0002
Loa Loa (eye worm) SET domain-containing protein 0.0147 0.07 0.076
Schistosoma mansoni protein arginine n-methyltransferase 0.0156 0.0752 0.1753
Echinococcus multilocularis purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Echinococcus granulosus histone lysine N methyltransferase H3 lysine 36 0.0104 0.0447 0.1053
Echinococcus multilocularis PWWP domain containing protein 2A 0.0089 0.0358 0.0842
Brugia malayi Carm1-pending protein 0.0156 0.0752 0.0827
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0079 0.0294 0.073
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0079 0.0294 0.0285
Onchocerca volvulus 0.0283 0.1508 0.1498
Plasmodium falciparum spermidine synthase 0.0687 0.3911 1
Schistosoma mansoni microtubule-associated protein tau 0.0743 0.4246 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0011 0.0003
Plasmodium falciparum purine nucleoside phosphorylase 0.0079 0.0294 0.0725
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.005 0.0124 0.0293
Echinococcus granulosus purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Echinococcus granulosus purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Schistosoma mansoni uridine phosphorylase 0.0079 0.0294 0.0672
Brugia malayi uridine phosphorylase family protein 0.0079 0.0294 0.0323
Schistosoma mansoni hypothetical protein 0.0089 0.0358 0.0823
Mycobacterium ulcerans spermidine synthase 0.055 0.3097 1
Plasmodium vivax spermidine synthase, putative 0.0687 0.3911 1
Brugia malayi purine nucleoside phosphorylase I, inosine and guanosine-specific family protein 0.0079 0.0294 0.0323
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0061 0.0122
Trypanosoma cruzi spermidine synthase, putative 0.0687 0.3911 1
Treponema pallidum pfs protein (pfs) 0.0079 0.0294 0.5
Brugia malayi Pre-SET motif family protein 0.1558 0.9094 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0167 0.0821 0.1934
Loa Loa (eye worm) hypothetical protein 0.0228 0.1184 0.1293
Brugia malayi Pre-SET motif family protein 0.0204 0.1037 0.114
Toxoplasma gondii Purine nucleoside phosphorylase 0.0079 0.0294 0.0849
Echinococcus granulosus purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Onchocerca volvulus 0.0089 0.0358 0.0347
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0079 0.0294 0.073
Echinococcus granulosus PWWP domain containing protein 2A 0.0089 0.0358 0.0842
Treponema pallidum uridine phosphorylase (udp) 0.0079 0.0294 0.5
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0213 0.109 0.2767
Loa Loa (eye worm) hypothetical protein 0.0228 0.1184 0.1293
Schistosoma mansoni uridine phosphorylase 0.0079 0.0294 0.0672
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1558 0.9094 1
Brugia malayi SET domain containing protein 0.013 0.0601 0.0661
Echinococcus multilocularis histone lysine N methyltransferase, H3 lysine 36 0.0104 0.0447 0.1053
Echinococcus granulosus histone h3 methyltransferase 0.0394 0.2172 0.5116
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0102 0.0434 0.1021
Trypanosoma cruzi spermidine synthase, putative 0.0687 0.3911 1
Echinococcus multilocularis microtubule associated protein 2 0.0743 0.4246 1
Brugia malayi SET domain containing protein 0.0048 0.0111 0.0122
Echinococcus granulosus histone lysine methyltransferase setb 0.0231 0.1201 0.2828
Echinococcus granulosus histone arginine methyltransferase CARMER 0.0156 0.0752 0.1771
Echinococcus multilocularis histone h3 methyltransferase 0.0394 0.2172 0.5116
Trichomonas vaginalis origin recognition complex subunit, putative 0.0031 0.0011 0.0002
Loa Loa (eye worm) hypothetical protein 0.0115 0.0512 0.0554
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0167 0.0821 0.1917
Echinococcus granulosus peregrin 0.0121 0.0543 0.1279
Brugia malayi CXXC zinc finger family protein 0.0266 0.141 0.155
Schistosoma mansoni methylthioadenosine phosphorylase 0.0425 0.2354 0.5535
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0417 0.2307 0.5423
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0031 0.0011 0.0005
Leishmania major modification methylase-like protein 0.0417 0.2307 0.5889
Schistosoma mansoni polybromo-1 0.0031 0.0011 0.0005
Toxoplasma gondii hypothetical protein 0.0594 0.3362 1
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0033 0.0021 0.005
Toxoplasma gondii hypothetical protein 0.0089 0.0358 0.1039
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0079 0.0294 0.0285
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0032 0.0017 0.002
Loa Loa (eye worm) hypothetical protein 0.0036 0.0041 0.0035
Onchocerca volvulus 0.005 0.0122 0.011
Echinococcus granulosus apoptotic protease activating factor 1 0.005 0.0122 0.0287
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0079 0.0294 0.0285
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0079 0.0294 1
Trypanosoma brucei transcription elongation factor s-II, putative 0.0089 0.0358 0.0893
Schistosoma mansoni caspase-7 (C14 family) 0.0071 0.0249 0.0566
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0962 0.555 0.61
Echinococcus granulosus disco interacting protein 2 0.0271 0.1435 0.338
Leishmania major hypothetical protein, conserved 0.0089 0.0358 0.0893
Echinococcus granulosus protein arginine N methyltransferase 7 0.0031 0.0009 0.0021
Schistosoma mansoni SET domain protein 0.0106 0.0457 0.1058
Echinococcus granulosus polybromo 1 0.0031 0.0011 0.0027
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0425 0.2354 0.601
Loa Loa (eye worm) PWWP domain-containing protein 0.0089 0.0358 0.0384
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0011 0.0007
Loa Loa (eye worm) hypothetical protein 0.0031 0.0011 0.0002
Echinococcus granulosus histone lysine N methyltransferase Ez 0.0306 0.1645 0.3874
Plasmodium vivax histone-lysine N-methyltransferase, putative 0.0091 0.0365 0.0907
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0436 0.2422 0.2657
Loa Loa (eye worm) spermidine synthase 0.0687 0.3911 0.4295
Loa Loa (eye worm) hypothetical protein 0.0089 0.0358 0.0384
Echinococcus multilocularis purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Schistosoma mansoni methylthioadenosine phosphorylase 0.0079 0.0294 0.0672
Echinococcus multilocularis uridine phosphorylase 1 0.0079 0.0294 0.0692
Brugia malayi SET domain containing protein 0.0306 0.1645 0.1809
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0033 0.0021 0.0012
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0417 0.2307 1
Entamoeba histolytica hypothetical protein 0.0089 0.0358 0.1517
Echinococcus granulosus cpg binding protein 0.0268 0.142 0.3345
Brugia malayi Spermidine synthase 0.0687 0.3911 0.4301
Schistosoma mansoni hypothetical protein 0.0181 0.0905 0.2114
Echinococcus granulosus histone lysine n methyltransferase suv420h1 0.0147 0.07 0.1648
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0079 0.0294 0.1239
Leishmania major histone-lysine N-methyltransferase, putative 0.005 0.0124 0.0293
Brugia malayi hypothetical protein 0.0089 0.0358 0.0393
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0079 0.0294 1
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0417 0.2307 0.5433
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0102 0.0434 0.1021
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0425 0.2354 0.7351
Onchocerca volvulus 0.0271 0.1435 0.1426
Echinococcus multilocularis peregrin 0.0121 0.0543 0.1279
Echinococcus granulosus purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0436 0.2422 0.6185
Brugia malayi hypothetical protein 0.005 0.0122 0.0134
Leishmania major hypothetical protein, conserved 0.005 0.0124 0.0293
Mycobacterium tuberculosis Probable spermidine synthase SpeE (putrescine aminopropyltransferase) (aminopropyltransferase) (SPDSY) 0.055 0.3097 1
Echinococcus granulosus uridine phosphorylase 1 0.0079 0.0294 0.0692
Toxoplasma gondii phosphorylase family protein 0.0079 0.0294 0.0849
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0231 0.1201 0.2813
Plasmodium falciparum histone-lysine N-methyltransferase, putative 0.0091 0.0365 0.0907
Echinococcus multilocularis arginine glutamic acid dipeptide (RE) repeats 0.0031 0.0011 0.0027
Toxoplasma gondii histone arginine methyltransferase PRMT4/CARM1 0.0156 0.0752 0.2215
Echinococcus multilocularis histone arginine methyltransferase CARMER 0.0156 0.0752 0.1771
Onchocerca volvulus 0.0228 0.1184 0.1174
Toxoplasma gondii phosphorylase family protein 0.0079 0.0294 0.0849
Echinococcus granulosus purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Chlamydia trachomatis AMP nucleosidase 0.0079 0.0294 0.5
Entamoeba histolytica hypothetical protein 0.0079 0.0294 0.1239
Schistosoma mansoni hypothetical protein 0.0056 0.0157 0.0349
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0425 0.2354 0.2582
Echinococcus multilocularis caspase 2 0.0071 0.0249 0.0586
Trypanosoma cruzi Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.005 0.0124 0.0293
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0064 0.0204 0.0501
Echinococcus granulosus arginine glutamic acid dipeptide RE repeats 0.0031 0.0011 0.0027
Onchocerca volvulus 0.0125 0.0568 0.0558
Echinococcus granulosus purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Echinococcus multilocularis histone lysine n methyltransferase suv420h1 0.0147 0.07 0.1648
Trypanosoma cruzi spermidine synthase, putative 0.0687 0.3911 1
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0417 0.2307 0.5887
Leishmania major S-adenosylmethionine decarboxylase 0.0436 0.2422 0.6185
Schistosoma mansoni bromo adjacent homology domain containing 0.0031 0.0011 0.0005
Schistosoma mansoni histone J3 methyltransferase 0.0394 0.2172 0.5105
Brugia malayi PWWP domain containing protein 0.0089 0.0358 0.0393
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0079 0.0294 0.1239
Echinococcus multilocularis cpg binding protein 0.0268 0.142 0.3345
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0031 0.0011 0.0005
Toxoplasma gondii PHD-finger domain-containing protein 0.0031 0.0011 0.0007
Echinococcus granulosus caspase 2 0.0071 0.0249 0.0586
Echinococcus multilocularis purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0031 0.0011 0.0005
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0033 0.0021 0.0028
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0079 0.0294 0.0285
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0271 0.1435 0.3366
Loa Loa (eye worm) uridine phosphorylase 0.0079 0.0294 0.0313
Echinococcus granulosus spermidine synthase 0.0687 0.3911 0.921
Echinococcus granulosus PWWP domain containing protein 2A 0.0089 0.0358 0.0842
Schistosoma mansoni cpg binding protein 0.0268 0.142 0.3331
Schistosoma mansoni cpg binding protein 0.0268 0.142 0.3331
Echinococcus granulosus lysine specific demethylase 5A 0.004 0.0061 0.0143
Loa Loa (eye worm) SET domain-containing protein 0.0306 0.1645 0.1801
Leishmania major methylthioadenosine phosphorylase, putative 0.0425 0.2354 0.601
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0436 0.2422 0.5705
Brugia malayi hypothetical protein 0.0228 0.1184 0.1302
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0283 0.1508 0.3537
Echinococcus multilocularis metastasis associated protein MTA1 0.0031 0.0011 0.0027
Toxoplasma gondii hypothetical protein 0.005 0.0124 0.0341
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0031 0.0011 0.0005
Loa Loa (eye worm) jmjC domain-containing protein 0.004 0.0061 0.0057
Loa Loa (eye worm) hypothetical protein 0.0031 0.0011 0.0003
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0417 0.2307 0.5889
Echinococcus multilocularis purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0079 0.0294 0.0725
Toxoplasma gondii histone lysine methyltransferase SET1 0.0073 0.026 0.0747
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0033 0.0021 0.0036
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0436 0.2422 0.6185
Trypanosoma brucei uridine phosphorylase 0.0079 0.0294 0.073
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0167 0.0821 0.2423
Echinococcus multilocularis protein arginine N methyltransferase 7 0.0031 0.0009 0.0021
Trypanosoma cruzi transcription elongation factor s-II, putative 0.0089 0.0358 0.0893
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0425 0.2354 0.601
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0294 0.0285
Schistosoma mansoni phd finger protein 0.0089 0.0358 0.0823
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0231 0.1201 0.2828
Brugia malayi F/Y-rich N-terminus family protein 0.0034 0.0028 0.0031
Trypanosoma cruzi Histone methylation protein DOT1, putative 0.005 0.0124 0.0293
Brugia malayi Histone-lysine N-methyltransferase, H3 lysine-79 specific 0.0394 0.2172 0.2389
Giardia lamblia UPL-1 0.0079 0.0294 1
Trypanosoma brucei Protein arginine N-methyltransferase 1 catalytic subunit 0.0064 0.0204 0.0501
Schistosoma mansoni mixed-lineage leukemia protein mll 0.008 0.0301 0.0689
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0079 0.0294 0.0285
Echinococcus multilocularis PHD finger protein rhinoceros 0.0031 0.0011 0.0027
Echinococcus granulosus geminin 0.0181 0.0905 0.213
Trypanosoma cruzi spermidine synthase, putative 0.0687 0.3911 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.005 0.0119
Trichomonas vaginalis set domain proteins, putative 0.171 1 1
Brugia malayi SET domain containing protein 0.0147 0.07 0.077
Onchocerca volvulus Cell death protein 3 homolog 0.0071 0.0249 0.0238
Echinococcus multilocularis metastasis associated protein 1 (mta1) 0.0031 0.0011 0.0027
Leishmania major hypothetical protein, conserved 0.005 0.0124 0.0293
Loa Loa (eye worm) hypothetical protein 0.0031 0.0011 0.0003
Echinococcus granulosus DNA methyltransferase 2, putative 0.0417 0.2307 0.5433
Schistosoma mansoni hepatoma derived growth factor 0.0089 0.0358 0.0823
Echinococcus granulosus methyltransferase protein 5 0.0031 0.0009 0.0021
Loa Loa (eye worm) hypothetical protein 0.0074 0.0264 0.028
Schistosoma mansoni jumonji domain containing protein 0.0081 0.0309 0.0707
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0231 0.1201 0.2813
Echinococcus granulosus SET and MYND domain containing protein 3 0.0076 0.0276 0.0649
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0079 0.0294 1
Echinococcus granulosus protein arginine methyltransferase 0.0033 0.0021 0.005
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0033 0.0021 0.0028
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0425 0.2354 0.5544
Brugia malayi Protein arginine N-methyltransferase 0.0031 0.0009 0.001
Trypanosoma brucei spermidine synthase 0.0687 0.3911 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0031 0.0011 0.0027
Trypanosoma cruzi hypothetical protein, conserved 0.0089 0.0358 0.0893
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0064 0.0204 0.085
Brugia malayi PHD-finger family protein 0.0031 0.0011 0.0012
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0079 0.0294 0.0285
Brugia malayi jmjC domain containing protein 0.0102 0.0434 0.0477
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0079 0.0294 0.073
Loa Loa (eye worm) hypothetical protein 0.0228 0.1184 0.1293
Loa Loa (eye worm) hypothetical protein 0.0033 0.0022 0.0014
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0436 0.2422 0.5705
Schistosoma mansoni enhancer of zeste ezh 0.0306 0.1645 0.3861
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0084 0.0198
Schistosoma mansoni hepatoma derived growth factor 0.0089 0.0358 0.0823
Onchocerca volvulus 0.0266 0.141 0.14
Mycobacterium leprae probable uridine phosphorylase 0.0079 0.0294 0.5
Echinococcus granulosus hepatoma derived growth factor protein 0.0089 0.0358 0.0842
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0079 0.0294 0.1239
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0189 0.0948 0.2232
Mycobacterium tuberculosis Probable 5'-methylthioadenosine phosphorylase Pnp (MTA phosphorylase) 0.0346 0.1886 0.5681
Schistosoma mansoni hypothetical protein 0.0181 0.0905 0.2114
Trypanosoma brucei Histone methylation protein DOT1, putative 0.005 0.0124 0.0293
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0079 0.0294 0.0283
Trichomonas vaginalis protein arginine N-methyltransferase, putative 0.0033 0.0021 0.0012
Echinococcus multilocularis bromo adjacent y domain containing 1 0.0031 0.0011 0.0027
Schistosoma mansoni jumonji/arid domain-containing protein 0.004 0.0061 0.0122
Echinococcus granulosus purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Loa Loa (eye worm) Carm1-pending protein 0.0156 0.0752 0.0818
Schistosoma mansoni hypothetical protein 0.005 0.0122 0.0266
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0417 0.2307 0.6854
Brugia malayi hypothetical protein 0.0089 0.0358 0.0393
Leishmania major spermidine synthase 0.0687 0.3911 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0079 0.0294 0.0285
Schistosoma mansoni hypothetical protein 0.0031 0.0011 0.0005
Echinococcus granulosus microtubule associated protein 2 0.0743 0.4246 1
Trypanosoma cruzi transcription elongation factor-like protein, putative 0.0089 0.0358 0.0893
Loa Loa (eye worm) hypothetical protein 0.0271 0.1435 0.157
Echinococcus multilocularis disco interacting protein 2 0.0271 0.1435 0.338
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0079 0.0294 0.0285
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0436 0.2422 0.6185
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0594 0.3362 0.8592
Schistosoma mansoni metastasis-associated protein 1 (mta1) 0.0031 0.0011 0.0005
Brugia malayi Disco-interacting protein 2 homolog 0.0271 0.1435 0.1578
Trichomonas vaginalis conserved hypothetical protein 0.0079 0.0294 0.0285
Echinococcus multilocularis SET and MYND domain containing protein 3 0.0076 0.0276 0.0649
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0417 0.2307 0.5887
Echinococcus multilocularis geminin 0.0181 0.0905 0.213
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0079 0.0294 0.1239
Leishmania major arginine N-methyltransferase-like protein 0.0033 0.0021 0.0031
Echinococcus granulosus metastasis associated protein MTA1 0.0031 0.0011 0.0027
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0425 0.2354 0.601
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0033 0.0021 0.0028
Trypanosoma cruzi arginine N-methyltransferase, putative 0.0064 0.0204 0.0501
Echinococcus multilocularis protein arginine methyltransferase 0.0033 0.0021 0.005
Echinococcus multilocularis purine nucleoside phosphorylase 0.0079 0.0294 0.0692
Brugia malayi GATA zinc finger family protein 0.0031 0.0011 0.0013
Schistosoma mansoni cpg binding protein 0.0266 0.141 0.3306
Toxoplasma gondii DNA methyltransferase 2, putative 0.0417 0.2307 0.6854
Echinococcus granulosus histone lysine n methyltransferase setb1 0.0036 0.0041 0.0097
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0079 0.0294 0.1239
Echinococcus granulosus metastasis associated protein 1 mta1 0.0031 0.0011 0.0027
Trypanosoma brucei histone-lysine n-methyltransferase 0.005 0.0124 0.0293
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0209 0.022
Echinococcus multilocularis spermidine synthase 0.0687 0.3911 0.921
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0436 0.2422 0.2664
Loa Loa (eye worm) hypothetical protein 0.0231 0.1201 0.1312
Loa Loa (eye worm) hypothetical protein 0.0962 0.555 0.61
Entamoeba histolytica hypothetical protein 0.0064 0.0204 0.085
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0436 0.2422 0.6185
Trichomonas vaginalis CDC6, putative 0.0031 0.0011 0.0002
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0079 0.0294 0.5
Echinococcus multilocularis histone lysine N methyltransferase E(z) 0.0306 0.1645 0.3874
Plasmodium vivax SET domain protein, putative 0.0167 0.0821 0.2077
Schistosoma mansoni purine nucleoside phosphorylase 0.0079 0.0294 0.0672
Echinococcus multilocularis PWWP domain containing protein 2A 0.0089 0.0358 0.0842
Echinococcus multilocularis apoptotic protease activating factor 1 0.005 0.0122 0.0287
Trypanosoma brucei Histone-lysine N-methyltransferase, H3 lysine-76 specific 0.005 0.0124 0.0293
Loa Loa (eye worm) hypothetical protein 0.0962 0.555 0.61
Trypanosoma cruzi hypothetical protein, conserved 0.0089 0.0358 0.0893
Trypanosoma cruzi histone-lysine N-methyltransferase, putative 0.005 0.0124 0.0293
Brugia malayi jmjC domain containing protein 0.004 0.0061 0.0067
Echinococcus granulosus protein arginine N methyltransferase 8 0.0033 0.0021 0.005
Loa Loa (eye worm) hypothetical protein 0.0053 0.0144 0.0148
Schistosoma mansoni hypothetical protein 0.0089 0.0358 0.0823
Brugia malayi hypothetical protein 0.0228 0.1184 0.1302
Echinococcus granulosus methylthioadenosine phosphorylase 0.0425 0.2354 0.5544
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0033 0.0021 0.0025
Leishmania major nucleoside phosphorylase-like protein 0.0079 0.0294 0.073
Loa Loa (eye worm) hypothetical protein 0.0121 0.0547 0.0592
Brugia malayi MTAP 0.0425 0.2354 0.2589
Brugia malayi Bromodomain containing protein 0.0031 0.0011 0.0012

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 6 uM The compound was tested for its inhibitory activity against IL-1 beta converting enzyme ChEMBL. No reference
Ki (binding) = 6 uM The compound was tested for its inhibitory activity against IL-1 beta converting enzyme ChEMBL. No reference

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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