TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 730.845 | Formula: C28H50N4O14S2
H donors: 12 H acceptors: 12 LogP: -8.13 Rotable bonds: 21
Rule of 5 violations (Lipinski): 4
SMILES: OC[C@H]([C@H]([C@@H]1OC(SCCCCCCSC2(C[C@H](N)[C@H]([C@@H](O2)[C@@H]([C@@H](CO)O)O)NC(=O)C)C(=O)O)(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O)O)O
InChi: 1S/C28H50N4O14S2/c1-13(35)31-19-15(29)9-27(25(41)42,45-23(19)21(39)17(37)11-33)47-7-5-3-4-6-8-48-28(26(43)44)10-16(30)20(32-14(2)36)24(46-28)22(40)18(38)12-34/h15-24,33-34,37-40H,3-12,29-30H2,1-2H3,(H,31,35)(H,32,36)(H,41,42)(H,43,44)/t15-,16-,17+,18+,19+,20+,21+,22+,23+,24+,27?,28?/m0/s1
InChiKey: BGOILNQFBXDSIU-NMZGEQPUSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Neuraminidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium parvum	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma brucei	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania major	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma congolense	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma mansoni	ubiquitin conjugating enzyme 13	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Cryptosporidium hominis	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	Get druggable targets OG5_127739	All targets in OG5_127739
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania infantum	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	Ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	ubiquitin conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	post-replication repair	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium knowlesi	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania donovani	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania mexicana	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Babesia bovis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Neospora caninum	Ubiquitin carrier protein (EC 6.3.2.-), related	Get druggable targets OG5_127739	All targets in OG5_127739
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	ubiquitin-conjugating enzyme	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Leishmania braziliensis	ubiquitin-conjugating enzyme e2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trypanosoma brucei gambiense	ubiquitin-conjugating enzyme e2, putative,ubiquitin carrier protein, putative,ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Theileria parva	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Schistosoma japonicum	ko:K10580 ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Plasmodium berghei	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	3-oxoacyl-acyl-carrier protein synthase I/II, putative	0.0039	0.0167	0.0919
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0155	0.1692	0.6269
Trypanosoma cruzi	trypanothione reductase, putative	0.0099	0.0951	0.5236
Giardia lamblia	Methyltransferase like 2	0.0047	0.0269	0.2832
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0078	0.0685	0.3767
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0261	0.1438
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0099	0.0951	0.5236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0103	0.0565
Mycobacterium tuberculosis	Polyketide synthetase MbtC (polyketide synthase)	0.0053	0.0356	0.0356
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0787	1	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0088	0.0814	0.0814
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0165	0.1817	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0165	0.1817	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0099	0.0951	0.5236
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0072	0.0608	0.1729
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0165	0.1817	1
Echinococcus multilocularis	3 oxoacyl (acyl carrier protein) synthase	0.0039	0.0167	0.092
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0165	0.1817	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.0256	0.1411
Mycobacterium tuberculosis	Hypothetical protein	0.0047	0.0269	0.0269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0134	0.0736
Mycobacterium ulcerans	polyketide synthase	0.0165	0.1818	0.6738
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0099	0.0951	0.5236
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0134	0.0738
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0046	0.0261	0.1438
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0046	0.0261	0.1437
Trypanosoma brucei	trypanothione reductase	0.0099	0.0951	0.5236
Mycobacterium tuberculosis	Conserved protein	0.0047	0.0269	0.0269
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0269	0.1483
Brugia malayi	Methyltransferase-like protein 4	0.0047	0.0269	0.0767
Mycobacterium ulcerans	thioesterase TesA	0.0129	0.1353	0.5012
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0015	0.0082
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0111	0.1119	0.1119
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0145	0.1558	0.1558
Treponema pallidum	NADH oxidase	0.0099	0.0951	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0125	0.1294	0.4795
Mycobacterium ulcerans	3-oxoacyl-(acyl carrier protein) synthase II	0.0039	0.0167	0.0619
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0099	0.0951	0.5236
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0165	0.1817	1
Schistosoma mansoni	3-oxoacyl-[ACP] synthase	0.0039	0.0167	0.0183
Brugia malayi	glutathione reductase	0.0099	0.0951	0.2707
Loa Loa (eye worm)	beta-ketoacyl synthase domain-containing protein	0.0039	0.0167	0.0543
Mycobacterium leprae	Probable polyketide synthase Pks1	0.0165	0.1818	0.1818
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0039	0.0167	0.092
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0165	0.1817	1
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0046	0.0261	0.0286
Chlamydia trachomatis	3-oxoacyl-ACP synthase	0.0039	0.0167	0.092
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0046	0.0261	0.0743
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0039	0.0167	0.0476
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0232	0.2699	0.2699
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0155	0.1692	0.6269
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0099	0.0951	0.5236
Toxoplasma gondii	thioredoxin reductase	0.0099	0.0951	0.5232
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0046	0.0261	0.0743
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0127	0.1321	0.1321
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0046	0.0256	0.9816
Trypanosoma cruzi	beta-ketoacyl synthase family protein, putative	0.0039	0.0167	0.092
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0722	0.9134	0.9134
Echinococcus granulosus	3 oxoacyl acyl carrier protein synthase	0.0039	0.0167	0.092
Leishmania major	hypothetical protein, conserved	0.0047	0.0269	0.1483
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0125	0.1294	0.4795
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0046	0.0261	1
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0165	0.1817	1
Mycobacterium ulcerans	fatty acid synthase Fas	0.0049	0.0296	0.1096
Onchocerca volvulus	Fatty acid synthase homolog	0.0279	0.3326	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0134	0.0736
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0165	0.1817	0.517
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0649	0.8183	0.8183
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0165	0.1817	0.199
Mycobacterium leprae	Polyketide synthase Pks13	0.0232	0.2699	0.2699
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0103	0.0565
Plasmodium falciparum	glutathione reductase	0.0099	0.0951	0.5236
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0099	0.0951	0.5236
Mycobacterium tuberculosis	Polyketide synthetase MbtD (polyketide synthase)	0.0048	0.0282	0.0282
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.015	0.163	0.163
Loa Loa (eye worm)	thioredoxin reductase	0.0099	0.0951	0.3093
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0099	0.0951	0.0951
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0145	0.1558	0.5066
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.0165	0.1818	0.1818
Loa Loa (eye worm)	acyl carrier protein	0.0071	0.0592	0.1925
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0046	0.0261	0.1438
Mycobacterium ulcerans	polyketide synthase MbtD	0.0048	0.0282	0.1045
Brugia malayi	AMP-binding enzyme family protein	0.0048	0.0282	0.0803
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0099	0.0951	0.5236
Plasmodium vivax	glutathione reductase, putative	0.0099	0.0951	0.5236
Plasmodium falciparum	thioredoxin reductase	0.0099	0.0951	0.5236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.0256	0.1411
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0134	0.0738
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0046	0.0256	0.1411
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0261	0.1438
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0134	0.0736
Toxoplasma gondii	type I fatty acid synthase, putative	0.0165	0.1818	1
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0046	0.0261	0.1438
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0165	0.1817	1
Trichomonas vaginalis	mercuric reductase, putative	0.0165	0.1817	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0134	0.0736
Mycobacterium ulcerans	polyketide synthase Pks9	0.0102	0.1002	0.3714
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0134	0.0738
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0046	0.0256	0.1411
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0099	0.0951	0.5236
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0294	0.3515	1
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.0165	0.1818	0.1818
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0046	0.0261	0.1438
Loa Loa (eye worm)	hypothetical protein	0.026	0.3076	1
Mycobacterium ulcerans	polyketide synthase MbtC	0.0039	0.0167	0.0619
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0046	0.0256	0.1411
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0134	0.0736
Toxoplasma gondii	type I fatty acid synthase, putative	0.011	0.1105	0.6078
Plasmodium falciparum	glutathione reductase	0.0099	0.0951	0.5236
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0649	0.8183	0.8183
Mycobacterium ulcerans	polyketide synthase	0.0155	0.1692	0.6269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0103	0.0565
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0155	0.1692	0.1692
Loa Loa (eye worm)	phosphatidylinositol 3	0.0046	0.0256	0.0834
Mycobacterium tuberculosis	Probable fatty acid synthase Fas (fatty acid synthetase)	0.0049	0.0296	0.0296
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0165	0.1817	1
Toxoplasma gondii	NADPH-glutathione reductase	0.0099	0.0951	0.5232
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0099	0.0951	0.5236
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0165	0.1817	1
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0046	0.0261	0.1438
Plasmodium falciparum	thioredoxin reductase	0.0099	0.0951	0.5236
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0099	0.0951	0.5236
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0155	0.1692	0.1692
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0034	0.0103	0.0565
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0169	0.0928
Loa Loa (eye worm)	fatty acid synthase	0.0153	0.1665	0.5412
Mycobacterium tuberculosis	Probable polyketide synthase Pks15	0.0063	0.0479	0.0479
Leishmania major	beta-ketoacyl synthase family protein, putative,3-oxoacyl-acyl carrier protein synthase ii, putative	0.0039	0.0167	0.092
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0099	0.0951	0.5236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0011	0.0062
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0046	0.0256	0.1411
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0046	0.0256	0.1411
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0099	0.0951	0.0951
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0101	0.0977	0.5372
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0046	0.0256	0.9816
Leishmania major	trypanothione reductase	0.0099	0.0951	0.5236
Onchocerca volvulus		0.0145	0.1558	0.4685
Trypanosoma brucei	beta-ketoacyl-ACP synthase	0.0039	0.0167	0.092
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0099	0.0951	1
Mycobacterium tuberculosis	Probable reductase	0.0649	0.8183	0.8183
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0099	0.0951	0.3526
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0165	0.1817	0.9994
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0046	0.0256	0.0281
Mycobacterium leprae	PROBABLE FATTY ACID SYNTHASE FAS (FATTY ACID SYNTHETASE)	0.0049	0.0296	0.0296
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0261	0.1438
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0103	0.0565
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0155	0.1692	0.1692
Wolbachia endosymbiont of Brugia malayi	3-oxoacyl-ACP synthase	0.0039	0.0167	0.092
Mycobacterium tuberculosis	Probable polyketide synthase Pks17	0.0038	0.0154	0.0154
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0046	0.0261	0.0849
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0099	0.0951	0.3526
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0102	0.1002	0.3714
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0099	0.0951	0.5236
Mycobacterium ulcerans	thioesterase	0.0129	0.1353	0.5012
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.0165	0.1818	0.1818
Trypanosoma cruzi	trypanothione reductase, putative	0.0099	0.0951	0.5236
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0129	0.1353	0.1353
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.0165	0.1818	0.1818
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0649	0.8183	0.8183
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.0165	0.1818	0.1818
Mycobacterium tuberculosis	Probable dehydrogenase	0.0649	0.8183	0.8183
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0099	0.0951	0.5236
Loa Loa (eye worm)	glutathione reductase	0.0099	0.0951	0.3093
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0072	0.0608	0.1729
Trichomonas vaginalis	glutathione reductase, putative	0.0165	0.1817	1
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0099	0.0951	0.5236
Schistosoma mansoni	methyltransferase-related	0.0047	0.0269	0.0295
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0103	0.0565
Onchocerca volvulus		0.027	0.32	0.962
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.0256	0.1411
Brugia malayi	AMP-binding enzyme family protein	0.0145	0.1558	0.4433
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.0165	0.1818	0.6738
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0015	0.0082
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0125	0.1294	0.1294
Mycobacterium ulcerans	3-oxoacyl-(acyl carrier protein) synthase II	0.0039	0.0167	0.0619
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0649	0.8183	0.8183
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0102	0.1002	0.1002
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0046	0.0256	0.073
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0165	0.1817	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0165	0.1818	0.6738
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0155	0.1692	0.1692
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0046	0.0261	0.1438
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0797	0.259
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0155	0.1692	0.6269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0015	0.0082
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0046	0.0253
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0046	0.0256	0.1411
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0129	0.1353	0.1353
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0155	0.1692	0.4814
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0103	0.0565
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0046	0.0256	0.1411
Plasmodium vivax	3-oxoacyl-[acyl-carrier-protein] synthase i/ii, putative	0.0039	0.0167	0.092
Plasmodium falciparum	3-oxoacyl-acyl-carrier protein synthase I/II	0.0039	0.0167	0.092
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0099	0.0951	0.5236
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0232	0.2699	0.2699
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0046	0.0261	0.0849
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0011	0.0062
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0046	0.0261	0.1438
Mycobacterium ulcerans	polyketide synthase Pks13	0.0232	0.2699	1
Plasmodium vivax	thioredoxin reductase, putative	0.0099	0.0951	0.5236
Brugia malayi	Thioredoxin reductase	0.0099	0.0951	0.2707
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0155	0.1692	0.6269
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0649	0.8183	0.8183
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0165	0.1817	0.6734
Mycobacterium tuberculosis	Probable oxidoreductase	0.0722	0.9134	0.9134
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.015	0.163	0.163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0059	0.0324
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0046	0.0256	0.1411
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0155	0.1692	0.1692
Echinococcus granulosus	thioredoxin glutathione reductase	0.0099	0.0951	0.5236
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0103	0.0565
Giardia lamblia	GTOR	0.0046	0.0256	0.2696

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9.9 uM	Inhibition of Influenza A virus A/California/07/2009 (H1N1) neuraminidase using MUNANA as substrate preincubated for 30 mins measured after 2 hrs	ChEMBL.	24374271
IC50 (binding)	= 11.6 uM	Inhibition of Influenza A virus A/Hong Kong/8/1968 (H3N2) neuraminidase using MUNANA as substrate preincubated for 30 mins measured after 2 hrs	ChEMBL.	24374271
IC50 (binding)	= 20 uM	Inhibition of Influenza A virus H5N1 neuraminidase using MUNANA as substrate preincubated for 30 mins measured after 2 hrs	ChEMBL.	24374271
IC50 (binding)	= 32 uM	Inhibition of Influenza A virus H3N2 neuraminidase using MUNANA as substrate preincubated for 30 mins measured after 2 hrs	ChEMBL.	24374271

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

ChEMBL: CHEMBL3104594

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1819795