Detailed information for compound 507109

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 579.722 | Formula: C31H49NO9
  • H donors: 4 H acceptors: 5 LogP: 2.71 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(ON([C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]1(O)CC[C@@H]2C1=CC(=O)OC1)C)C)OC1OC[C@@H]([C@H]([C@@H]1O)O)O)C
  • InChi: 1S/C31H49NO9/c1-17(2)40-32(41-28-27(36)26(35)24(33)16-39-28)20-7-10-29(3)19(14-20)5-6-23-22(29)8-11-30(4)21(9-12-31(23,30)37)18-13-25(34)38-15-18/h13,17,19-24,26-28,33,35-37H,5-12,14-16H2,1-4H3/t19-,20+,21-,22+,23-,24+,26-,27+,28?,29+,30-,31+/m1/s1
  • InChiKey: AMPXDKZFRNJTCY-PIFYGNEBSA-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
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0018 0.0058 0.0058
Trypanosoma cruzi guanine deaminase, putative 0.0126 0.143 0.74
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0003
Echinococcus multilocularis purine nucleoside phosphorylase 0.0802 1 1
Toxoplasma gondii phosphorylase family protein 0.0166 0.1933 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0166 0.1933 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.1381 0.1331
Loa Loa (eye worm) steroid hormone receptor 0.0018 0.0058 0.0074
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0018 0.0058 0.0074
Schistosoma mansoni thyroid hormone receptor 0.0141 0.1613 0.1564
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0074
Entamoeba histolytica hypothetical protein 0.0166 0.1933 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0061 0.0605 0.055
Mycobacterium leprae probable uridine phosphorylase 0.0166 0.1933 0.1883
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0092 0.0476
Brugia malayi uridine phosphorylase family protein 0.0166 0.1933 0.1933
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0018 0.0058 0.0074
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0021 0.0096 0.0497
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0166 0.1933 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0021 0.0096 0.0038
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0092 0.0092
Mycobacterium ulcerans hypothetical protein 0.0019 0.0061 0.0061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0018 0.0058 0.0074
Echinococcus granulosus carboxylesterase 5A 0.0066 0.0664 0.0609
Echinococcus multilocularis thyroid hormone receptor alpha 0.0141 0.1613 0.1564
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0092 0.0164
Loa Loa (eye worm) S-methyl-5'-thioadenosine phosphorylase MTAP 0.0166 0.1933 0.2449
Echinococcus granulosus dihydropyrimidinase 0.0019 0.0061 0.0003
Trichomonas vaginalis protein ssnA, putative 0.0126 0.143 0.1377
Plasmodium falciparum thioredoxin reductase 0.0021 0.0096 0.0023
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0166 0.1933 0.1883
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0074
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0092 0.0476
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0166 0.1933 1
Trichomonas vaginalis glutathione reductase, putative 0.0021 0.0096 0.0035
Echinococcus multilocularis dihydropyrimidinase protein 4 0.0019 0.0061 0.0003
Echinococcus granulosus purine nucleoside phosphorylase 0.0802 1 1
Echinococcus multilocularis purine nucleoside phosphorylase 0.0802 1 1
Plasmodium vivax purine nucleoside phosphorylase, putative 0.0166 0.1933 1
Trypanosoma brucei guanine deaminase, putative 0.0126 0.143 0.74
Trypanosoma cruzi dihydroorotase, putative 0.0019 0.0061 0.0317
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0021 0.0096 0.0497
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0021 0.0096 0.0035
Brugia malayi Carboxylesterase family protein 0.0066 0.0664 0.0664
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0021 0.0096 0.0023
Echinococcus granulosus purine nucleoside phosphorylase 0.0802 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0018 0.0058 0.0058
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0092 0.0034
Trypanosoma cruzi imidazolonepropionase, putative 0.0019 0.0061 0.0317
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0018 0.0058 0.0058
Loa Loa (eye worm) glutathione reductase 0.0061 0.0605 0.0767
Entamoeba histolytica MTA/SAH nucleosidase, putative 0.0166 0.1933 1
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0166 0.1933 1
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0019 0.0061 0.0003
Echinococcus granulosus inosine guanosine and xanthosine phosphorylase 0.0636 0.7893 0.7881
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0096 0.0497
Trypanosoma brucei methylthioadenosine phosphorylase, putative 0.0166 0.1933 1
Giardia lamblia Purine nucleoside phosphorylase lateral transfer candidate 0.0802 1 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0092 0.0476
Trypanosoma cruzi imidazolonepropienase, putative 0.0019 0.0061 0.0317
Schistosoma mansoni uridine phosphorylase 0.0166 0.1933 0.1886
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0092 0.8806
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0018 0.0058 0.0058
Schistosoma mansoni thyroid hormone receptor 0.0141 0.1613 0.1564
Loa Loa (eye worm) uridine phosphorylase 0.0166 0.1933 0.2449
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0096 0.0497
Plasmodium falciparum thioredoxin reductase 0.0061 0.0605 0.2787
Brugia malayi nuclear hormone receptor 0.0018 0.0058 0.0058
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0166 0.1933 0.1883
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0021 0.0096 0.0038
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0021 0.0096 0.0035
Echinococcus granulosus dihydropyrimidinase protein 4 0.0019 0.0061 0.0003
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0016 0.0024 0.0024
Leishmania major methylthioadenosine phosphorylase, putative 0.0166 0.1933 1
Mycobacterium tuberculosis Probable bifunctional MTA/SAH nucleosidase Mtn: 5'-methylthioadenosine nucleosidase (methylthioadenosine methylthioribohydrolase 0.0166 0.1933 0.1883
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0401 0.0401
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0021 0.0096 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0018 0.0058 0.0074
Brugia malayi Carboxylesterase family protein 0.0066 0.0664 0.0664
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0058 0.0058
Mycobacterium ulcerans urease subunit alpha 0.0019 0.0061 0.0061
Schistosoma mansoni ap endonuclease 0.0021 0.0092 0.0034
Echinococcus granulosus purine nucleoside phosphorylase 0.0802 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0401 0.0345
Giardia lamblia UPL-1 0.0166 0.1933 0.1858
Echinococcus granulosus thioredoxin glutathione reductase 0.0061 0.0605 0.055
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0664 0.0609
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0058 0.0058
Echinococcus granulosus purine nucleoside phosphorylase 0.0802 1 1
Brugia malayi nuclear receptor NHR-88 0.0018 0.0058 0.0058
Trypanosoma brucei trypanothione reductase 0.0061 0.0605 0.313
Trypanosoma brucei dihydroorotase, putative 0.0019 0.0061 0.0317
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0018 0.0058 0.0074
Onchocerca volvulus Purine nucleoside phosphorylase homolog 0.0802 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0018 0.0058 0.0074
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0092 0.0116
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0401 0.0345
Loa Loa (eye worm) acetylcholinesterase 1 0.0066 0.0664 0.0841
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0021 0.0096 0.0497
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0166 0.1933 1
Mycobacterium ulcerans dihydroorotase 0.0019 0.0061 0.0061
Mycobacterium ulcerans bifunctional Mta/Sah nucleosidase Mtn 0.0166 0.1933 0.1933
Schistosoma mansoni purine nucleoside phosphorylase 0.0802 1 1
Echinococcus multilocularis dihydropyrimidinase 0.0019 0.0061 0.0003
Treponema pallidum NADH oxidase 0.0021 0.0096 0.0023
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0092 0.0164
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0021 0.0096 0.0497
Echinococcus multilocularis purine nucleoside phosphorylase 0.0802 1 1
Brugia malayi MTAP 0.0166 0.1933 0.1933
Mycobacterium leprae Probable purine nucleoside phosphorylase DeoD (INOSINE PHOSPHORYLASE) (PNP) 0.0802 1 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0021 0.0096 0.0497
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0021 0.0096 0.0497
Echinococcus multilocularis methylthioadenosine phosphorylase 0.0166 0.1933 0.1886
Echinococcus multilocularis purine nucleoside phosphorylase 0.0636 0.7893 0.7881
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0021 0.0096 0.0497
Brugia malayi Amidohydrolase family protein 0.0019 0.0061 0.0061
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0092 0.0092
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0021 0.0096 0.0497
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0074
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.1381 0.1331
Mycobacterium ulcerans hydroxydechloroatrazine ethylaminohydrolase 0.0126 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0066 0.0664 0.0841
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0401 0.0345
Plasmodium vivax glutathione reductase, putative 0.0061 0.0605 0.2905
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0166 0.1933 0.1883
Entamoeba histolytica purine nucleoside phosphorylase, putative 0.0166 0.1933 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0166 0.1933 1
Trypanosoma cruzi nucleoside phosphorylase, putative 0.0166 0.1933 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0401 0.0508
Mycobacterium tuberculosis Conserved hypothetical protein 0.0166 0.1933 0.1883
Loa Loa (eye worm) hypothetical protein 0.0066 0.0664 0.0841
Schistosoma mansoni dihydropyrimidinase related protein-2 (M38 family) 0.0019 0.0061 0.0003
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0074
Chlamydia trachomatis AMP nucleosidase 0.0166 0.1933 1
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0166 0.1933 0.1883
Trypanosoma cruzi trypanothione reductase, putative 0.0061 0.0605 0.313
Schistosoma mansoni purine nucleoside phosphorylase 0.0802 1 1
Trypanosoma cruzi trypanothione reductase, putative 0.0021 0.0096 0.0497
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0401 0.0345
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0166 0.1933 1
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0021 0.0096 0.0023
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0096 0.0497
Trichomonas vaginalis guanine deaminase, putative 0.0126 0.143 0.1377
Toxoplasma gondii NADPH-glutathione reductase 0.0021 0.0096 0.0023
Schistosoma mansoni ap endonuclease 0.0021 0.0092 0.0034
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0092 0.0476
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0021 0.0096 0.0497
Echinococcus multilocularis purine nucleoside phosphorylase 0.0802 1 1
Treponema pallidum pfs protein (pfs) 0.0166 0.1933 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0058 0.0058
Brugia malayi photoreceptor-specific nuclear receptor 0.0018 0.0058 0.0058
Echinococcus granulosus uridine phosphorylase 1 0.0166 0.1933 0.1886
Echinococcus granulosus imidazolonepropionase 0.0019 0.0061 0.0003
Trypanosoma brucei uridine phosphorylase 0.0166 0.1933 1
Schistosoma mansoni hypothetical protein 0.0123 0.1381 0.1331
Plasmodium falciparum purine nucleoside phosphorylase 0.0166 0.1933 1
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0092 0.0031
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0021 0.0096 0.0023
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0092 0.0034
Echinococcus multilocularis dihydropyrimidinase 2 0.0019 0.0061 0.0003
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0021 0.0096 0.0035
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0021 0.0096 0.0096
Entamoeba histolytica guanine deaminase, putative 0.0126 0.143 0.7314
Echinococcus multilocularis purine nucleoside phosphorylase 0.0802 1 1
Trichomonas vaginalis protein ssnA, putative 0.0126 0.143 0.1377
Brugia malayi ecdysteroid receptor 0.0018 0.0058 0.0058
Brugia malayi Thioredoxin reductase 0.0061 0.0605 0.0605
Echinococcus multilocularis carboxylesterase 5A 0.0066 0.0664 0.0609
Schistosoma mansoni dihydropyrimidinase related protein-1 (M38 family) 0.0019 0.0061 0.0003
Plasmodium falciparum glutathione reductase 0.0021 0.0096 0.0023
Echinococcus multilocularis imidazolonepropionase 0.0019 0.0061 0.0003
Echinococcus multilocularis acetylcholinesterase 0.0066 0.0664 0.0609
Plasmodium vivax thioredoxin reductase, putative 0.0061 0.0605 0.2905
Treponema pallidum purine nucleoside phosphorylase (deoD) 0.0166 0.1933 1
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0021 0.0096 0.0497
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0166 0.1933 0.1858
Trichomonas vaginalis conserved hypothetical protein 0.0166 0.1933 0.1883
Toxoplasma gondii thioredoxin reductase 0.0061 0.0605 0.2787
Trypanosoma brucei guanine deaminase, putative 0.0126 0.143 0.74
Trypanosoma cruzi imidazolonepropionase, putative 0.0019 0.0061 0.0317
Echinococcus multilocularis purine nucleoside phosphorylase 0.0802 1 1
Schistosoma mansoni aspartate carbamoyltransferase 0.0019 0.0061 0.0003
Treponema pallidum uridine phosphorylase (udp) 0.0166 0.1933 1
Mycobacterium tuberculosis Hypothetical protein 0.0166 0.1933 0.1883
Echinococcus granulosus purine nucleoside phosphorylase 0.0802 1 1
Brugia malayi Steroid receptor seven-up type 2 0.0018 0.0058 0.0058
Mycobacterium tuberculosis Probable oxidoreductase 0.0021 0.0096 0.0035
Leishmania major dihydroorotase, putative 0.0019 0.0061 0.0317
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0092 0.0031
Schistosoma mansoni methylthioadenosine phosphorylase 0.0166 0.1933 0.1886
Trypanosoma cruzi methylthioadenosine phosphorylase, putative 0.0166 0.1933 1
Trypanosoma cruzi dihydroorotase, putative 0.0019 0.0061 0.0317
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0074
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0021 0.0096 0.0096
Brugia malayi steroid hormone receptor 0.0018 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0636 0.7893 1
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0058 0.0058
Echinococcus multilocularis uridine phosphorylase 1 0.0166 0.1933 0.1886
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0166 0.1933 0.1883
Trichomonas vaginalis purine nucleoside phosphorylase I, putative 0.0802 1 1
Mycobacterium ulcerans imidazolonepropionase 0.0019 0.0061 0.0061
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0401 0.0345
Loa Loa (eye worm) carboxylesterase 0.0066 0.0664 0.0841
Echinococcus granulosus purine nucleoside phosphorylase 0.0802 1 1
Loa Loa (eye worm) thioredoxin reductase 0.0061 0.0605 0.0767
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0066 0.0664 0.0609
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0018 0.0058 0.0058
Leishmania major nucleoside phosphorylase-like protein 0.0166 0.1933 1
Leishmania major guanine deaminase, putative 0.0126 0.143 0.74
Schistosoma mansoni methylthioadenosine phosphorylase 0.0166 0.1933 0.1886
Trypanosoma cruzi dihydroorotase, putative 0.0019 0.0061 0.0317
Giardia lamblia NADH oxidase lateral transfer candidate 0.0021 0.0096 0.0004
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0018 0.0058 0.0058
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0401 0.0345
Brugia malayi glutathione reductase 0.0061 0.0605 0.0605
Trichomonas vaginalis mercuric reductase, putative 0.0021 0.0096 0.0035
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0021 0.0096 0.0038
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0018 0.0058 0.0058
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0096 0.0497
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0092 0.0031
Echinococcus granulosus methylthioadenosine phosphorylase 0.0166 0.1933 0.1886
Echinococcus granulosus dihydropyrimidinase 2 0.0019 0.0061 0.0003
Trichomonas vaginalis conserved hypothetical protein 0.0166 0.1933 0.1883
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0018 0.0058 0.0058
Leishmania major trypanothione reductase 0.0061 0.0605 0.313
Plasmodium falciparum glutathione reductase 0.0061 0.0605 0.2787
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0061 0.0605 0.0547
Schistosoma mansoni methylthioadenosine phosphorylase 0.0166 0.1933 0.1886
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0018 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0019 0.0061 0.0003
Toxoplasma gondii Purine nucleoside phosphorylase 0.0166 0.1933 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0074
Trypanosoma cruzi guanine deaminase, putative 0.0126 0.143 0.74
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0021 0.0096 0.0035
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0074
Echinococcus granulosus acetylcholinesterase 0.0066 0.0664 0.0609
Echinococcus multilocularis purine nucleoside phosphorylase 0.0636 0.7893 0.7881
Loa Loa (eye worm) amidohydrolase 0.0019 0.0061 0.0078
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0166 0.1933 0.1883
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0021 0.0096 0.0186
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0021 0.0096 0.0186
Loa Loa (eye worm) hypothetical protein 0.0018 0.0058 0.0074
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0021 0.0096 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0018 0.0058 0.0074
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0021 0.0096 0.0096
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0401 0.0345
Giardia lamblia 5-methylthioadenosine nucleosidase, S-adenosylhomocysteine nucleosidase 0.0166 0.1933 0.1858
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0016 0.0024 0.0024
Schistosoma mansoni dihydropyrimidinase (M38 family) 0.0019 0.0061 0.0003
Leishmania major N-acetylglucosamine-6-phosphate deacetylase-like protein 0.0019 0.0061 0.0317
Echinococcus granulosus purine nucleoside phosphorylase 0.0802 1 1
Echinococcus granulosus purine nucleoside phosphorylase 0.0802 1 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0021 0.0096 0.0096
Mycobacterium ulcerans n-acetylglucosamine-6-phosphate deacetylase NagA 0.0019 0.0061 0.0061
Mycobacterium ulcerans purine nucleoside phosphorylase 0.0802 1 1
Toxoplasma gondii phosphorylase family protein 0.0166 0.1933 1
Mycobacterium ulcerans 5'-methylthioadenosine phosphorylase 0.0166 0.1933 0.1933
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0096 0.0497
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0018 0.0058 0.0058
Echinococcus granulosus acetylcholinesterase 0.0066 0.0664 0.0609
Schistosoma mansoni uridine phosphorylase 0.0166 0.1933 0.1886
Mycobacterium tuberculosis Probable purine nucleoside phosphorylase DeoD (inosine phosphorylase) (PNP) 0.0802 1 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0021 0.0096 0.0497
Trichomonas vaginalis purine nucleoside phosphorylase, putative 0.0166 0.1933 0.1883

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 120 nM Cytotoxicity against human NCI/ADR-RES cells ChEMBL. 18240383
IC50 (functional) = 120 nM Cytotoxicity against human NCI/ADR-RES cells ChEMBL. 18240383

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 18240383

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

1 literature reference was collected for this gene.

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