TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.415 | Formula: C16H31N4O5P
H donors: 4 H acceptors: 3 LogP: -0.41 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOP(=O)(C1=C[C@H]([C@@H]([C@H](C1)NC(=N)N)NC(=O)C)OC(CC)CC)O
InChi: 1S/C16H31N4O5P/c1-5-11(6-2)25-14-9-12(26(22,23)24-7-3)8-13(20-16(17)18)15(14)19-10(4)21/h9,11,13-15H,5-8H2,1-4H3,(H,19,21)(H,22,23)(H4,17,18,20)/t13-,14+,15+/m0/s1
InChiKey: FRYSRHHJWNBUDF-RRFJBIMHSA-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 (strain A/Wilson-Smith/1933 H1N1) (Influenza A virus(strain A/WS/1933 H1N1))	Neuraminidase	Starlite/ChEMBL	References
Influenza A virus	Neuraminidase	Starlite/ChEMBL	References
Influenza A virus	Neuraminidase	Starlite/ChEMBL	References
Influenza A virus	Neuraminidase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Candida albicans	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
Neospora caninum	Ubiquitin carrier protein (EC 6.3.2.-), related	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Leishmania infantum	ubiquitin-conjugating enzyme e2, 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
Onchocerca volvulus		Get druggable targets OG5_127571	All targets in OG5_127571
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Plasmodium berghei	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
Candida albicans	3' exon of potential Low molecular weight phosphoTyrosine Phosphatase gene	Get druggable targets OG5_127571	All targets in OG5_127571
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	Get druggable targets OG5_127571	All targets in OG5_127571
Leishmania braziliensis	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
Cryptosporidium parvum	ubiquitin-conjugating enzyme	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
Trypanosoma brucei	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Entamoeba histolytica	protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	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
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	Get druggable targets OG5_127571	All targets in OG5_127571
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Candida albicans	post-replication repair	Get druggable targets OG5_127739	All targets in OG5_127739
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	Get druggable targets OG5_127571	All targets in OG5_127571
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Trypanosoma cruzi	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
Theileria parva	ubiquitin-protein ligase, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Entamoeba histolytica	protein tyrosine phosphatase, putative	Get druggable targets OG5_127571	All targets in OG5_127571
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	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
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	Get druggable targets OG5_127571	All targets in OG5_127571
Trypanosoma congolense	ubiquitin-protein ligase, putative	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
Babesia bovis	ubiquitin-conjugating enzyme E2, 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
Cryptosporidium hominis	ubiquitin-conjugating enzyme	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
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
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	Get druggable targets OG5_127739	All targets in OG5_127739
Candida albicans	C terminus of potential Low molecular weight phosphoTyrosine Phosphatase	Get druggable targets OG5_127571	All targets in OG5_127571
Brugia malayi	Ubiquitin conjugating enzyme protein 13	Get druggable targets OG5_127739	All targets in OG5_127739
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	Get druggable targets OG5_127571	All targets in OG5_127571
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	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
Candida albicans	ubiquitin conjugating enzyme	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

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
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.1144	0.1088
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0062	0.0062
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0115	0.7229	1
Brugia malayi	hypothetical protein	0.0019	0.0886	0.0829
Onchocerca volvulus		0.0028	0.1467	0.1414
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0886	0.1149
Brugia malayi	hypothetical protein	0.0019	0.0886	0.0829
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0156	1	1
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0062	0.0029
Schistosoma mansoni	rab6-interacting	0.0019	0.0886	0.1149
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0074	0.0016
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0886	0.1149
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0757	0.0757
Schistosoma mansoni	cpg binding protein	0.0029	0.1573	0.2108
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0886	0.1149
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0062	0.0062
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0046	0.2675	0.3646
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0156	1	1
Onchocerca volvulus		0.0019	0.0886	0.0829
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1144	0.1088
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0062	0.0062
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0046	0.2675	0.2629
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0156	1	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.1144	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0886	0.0829
Schistosoma mansoni	hypothetical protein	0.0019	0.0886	0.1149
Schistosoma mansoni	loxhd1	0.0019	0.0886	0.1149
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.1144	1
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0886	0.1149
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0694	0.0694
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0062	0.0062
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0694	0.0694
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0074	0.0016
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0062	0.0062
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0115	0.7229	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.1144	0.1088
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0757	0.0699
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.3546	0.4862
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0187	0.0125
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0074	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1144	0.1088
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.1144	0.4139
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0156	1	1
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0046	0.2675	0.2651
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0156	1	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1144	0.1088
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0046	0.2675	0.2651
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1144	0.1088
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0062	0.0029
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0156	1	1
Brugia malayi	Doublecortin family protein	0.0019	0.0886	0.0829
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0886	0.3152
Plasmodium falciparum	acyl-CoA synthetase	0.0017	0.0757	0.2658
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0046	0.2675	1
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0046	0.2675	0.2629
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.1144	0.1088
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0062	0.0062
Plasmodium vivax	acyl-CoA synthetase, putative	0.0017	0.0757	0.2658
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0757	0.0699
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0757	0.0699
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.1144	0.1144
Mycobacterium ulcerans	hypothetical protein	0.0023	0.1144	0.1088
Brugia malayi	CXXC zinc finger family protein	0.0028	0.1467	0.1414
Onchocerca volvulus		0.0023	0.1144	0.1088
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0156	1	1
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0046	0.2675	1
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0886	0.0829
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0074	0.0016
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0886	0.3152
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0062	0.0062
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0074	0.0016
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.1144	0.1088
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0046	0.2675	0.3646
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0694	0.0694
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0062	0.0062
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0046	0.2675	0.3646
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0156	1	1
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0156	1	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.1144	0.1144
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0156	1	1
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0062	0.0062
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0886	0.1149
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0156	1	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.1144	0.1088
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0046	0.2675	0.2629
Echinococcus granulosus	cpg binding protein	0.0029	0.1573	0.2108
Schistosoma mansoni	rab6-interacting	0.0019	0.0886	0.1149
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.1467	0.1414
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0156	1	1
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0046	0.2675	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0694	0.0694
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0046	0.2675	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0179	0.0118
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0187	0.0173
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.1144	0.1088
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.3126	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0757	0.0699
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.1144	0.1088
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.1144	0.1088
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0046	0.2675	0.2629
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0757	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.1144	0.1088
Echinococcus multilocularis	RUN	0.0019	0.0886	0.1149
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0046	0.2675	0.8528
Schistosoma mansoni	cpg binding protein	0.0028	0.1467	0.1961
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0046	0.2675	0.2629
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.1144	0.4139
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0886	0.0829
Schistosoma mansoni	lipoxygenase	0.0115	0.7229	1
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0062	0.0062
Onchocerca volvulus		0.0019	0.0886	0.0829
Echinococcus granulosus	RUN	0.0019	0.0886	0.1149
Echinococcus multilocularis	cpg binding protein	0.0029	0.1573	0.2108
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0187	0.0173
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0046	0.2675	1
Schistosoma mansoni	cpg binding protein	0.0029	0.1573	0.2108
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1144	0.1088
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0062	0.0062
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0886	0.1149
Schistosoma mansoni	polycystin 1-related	0.0019	0.0886	0.1149
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.1144	0.4139
Onchocerca volvulus		0.0156	1	1
Schistosoma mansoni	lipoxygenase	0.008	0.4937	0.6802
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.1144	0.1088
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0757	0.0699
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0046	0.2675	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0757	0.0699
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.1144	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Fu (ADMET)	= 86 %	Fraction unbound in human plasma at 1 uM after 4 hrs	ChEMBL.	23009169
IC50 (binding)	= 1.1 nM	Inhibition of wild type Influenza A virus A/WSN/1933(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay	ChEMBL.	23009169
IC50 (binding)	= 17.4 nM	Inhibition of Influenza A virus (A/reassortant/NIBRG-14(Viet Nam/1194/2004 x Puerto Rico/8/1934)(H5N1)) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay	ChEMBL.	23009169
IC50 (binding)	= 25.1 nM	Inhibition of oseltamivir-resistant Influenza A virus A/WSN/1933/H275Y(H1N1) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay	ChEMBL.	23009169
IC50 (binding)	= 114 nM	Inhibition of Influenza A virus A/Udorn/1972(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay	ChEMBL.	23009169
IC50 (binding)	= 131.7 nM	Inhibition of Influenza A virus A/Taiwan/3446/2002(H3N2) neuraminidase in virus-infected allantoic fluid using 2'-(4-methylumbelliferyl)-alpha-D-N-acetylneuraminic acid as substrate incubated for 10 mins prior to substrate addition by fluorescence assay	ChEMBL.	23009169
Vd/F (ADMET)	= 20 L/Kg	Apparent oral volume of distribution in mouse at 10 mg/kg	ChEMBL.	23009169

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: CHEMBL2206932

Bibliographic References

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Detailed information for compound 1689911