TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 441.436 | Formula: C18H27N5O8
H donors: 2 H acceptors: 5 LogP: -0.08 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CNC(=O)OC(C)(C)C)OCC1OC(C2C1OC(O2)(C)C)n1cnc(n1)C(=O)N
InChi: 1S/C18H27N5O8/c1-17(2,3)31-16(26)20-6-10(24)27-7-9-11-12(30-18(4,5)29-11)15(28-9)23-8-21-14(22-23)13(19)25/h8-9,11-12,15H,6-7H2,1-5H3,(H2,19,25)(H,20,26)
InChiKey: VFMLKKCICAJRKT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	cytosolic carboxypeptidase protein 5	0.0121	0.1368	0.1368
Onchocerca volvulus		0.0704	1	1
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.0704	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0678	0.9614	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0104	0.112	0.8115
Brugia malayi	Isocitrate dehydrogenase	0.0032	0.0052	0.0054
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0121	0.1368	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0678	0.9614	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0104	0.112	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.07	0.07
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0662	0.9367	0.9367
Brugia malayi	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1423
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.0704	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0215	0.2754	0.2754
Loa Loa (eye worm)	zinc carboxypeptidase	0.0121	0.1368	0.1423
Schistosoma mansoni	metallocarboxypeptidase D peptidase unit 2 (M14 family)	0.0121	0.1368	0.1368
Toxoplasma gondii	zinc carboxypeptidase, putative	0.0121	0.1368	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0215	0.2754	0.2865
Brugia malayi	isocitrate dehydrogenase	0.0032	0.0052	0.0054
Loa Loa (eye worm)	zinc carboxypeptidase	0.0121	0.1368	0.1423
Echinococcus granulosus	GPCR family 2	0.0215	0.2754	0.2754
Schistosoma mansoni	hypothetical protein	0.0215	0.2754	0.2754
Onchocerca volvulus		0.0496	0.6916	0.6916
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0121	0.1368	1
Onchocerca volvulus		0.0704	1	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0662	0.9367	0.9744
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0121	0.1368	1
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0032	0.0052	0.0052
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.07	0.07
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0121	0.1368	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0678	0.9614	1
Brugia malayi	MH2 domain containing protein	0.0389	0.533	0.5544
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.07	0.0728
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0662	0.9367	0.9367
Schistosoma mansoni	hypothetical protein	0.0464	0.6439	0.6439
Echinococcus multilocularis	isocitrate dehydrogenase	0.0032	0.0052	0.0052
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0032	0.0052	0.0052
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0121	0.1368	0.5
Brugia malayi	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1423
Plasmodium falciparum	ataxin-2 like protein, putative	0.0104	0.112	1
Leishmania major	hypothetical protein, conserved	0.0104	0.112	0.8115
Onchocerca volvulus		0.0704	1	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.07	0.0728
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.07	0.07
Brugia malayi	hypothetical protein	0.0067	0.0574	0.0597
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0052	0.0052
Onchocerca volvulus	Cytosolic carboxypeptidase 1 homolog	0.0121	0.1368	0.1368
Brugia malayi	hypothetical protein	0.0104	0.112	0.1165
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423
Echinococcus multilocularis		0.0121	0.1368	0.1368
Echinococcus multilocularis	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1368
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0662	0.9367	0.9367
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0032	0.0052	0.0054
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Echinococcus granulosus	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1368
Loa Loa (eye worm)	pax transcription factor protein 2	0.0496	0.6916	0.7194
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423
Onchocerca volvulus		0.0704	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0052	0.0052
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Brugia malayi	Pax transcription factor protein 2	0.0496	0.6916	0.7194
Schistosoma mansoni	hypothetical protein	0.0047	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0583	0.8211	0.8541
Schistosoma mansoni	hypothetical protein	0.0215	0.2754	0.2754
Onchocerca volvulus		0.0121	0.1368	0.1368
Schistosoma mansoni	hypothetical protein	0.0215	0.2754	0.2754
Toxoplasma gondii	LsmAD domain-containing protein	0.0104	0.112	0.8115
Trypanosoma cruzi	zinc carboxypeptidase, putative	0.0121	0.1368	1
Schistosoma mansoni	peptidase	0.0121	0.1368	0.1368
Loa Loa (eye worm)	MH2 domain-containing protein	0.0389	0.533	0.5544
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0215	0.2754	0.2754
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423
Brugia malayi	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1423
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0032	0.0052	0.0052
Plasmodium vivax	ataxin-2 like protein, putative	0.0104	0.112	0.8115
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423
Loa Loa (eye worm)	zinc carboxypeptidase	0.0121	0.1368	0.1423
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.07	0.07
Loa Loa (eye worm)	hypothetical protein	0.0104	0.112	0.1165
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0121	0.1368	1
Echinococcus multilocularis	GPCR, family 2	0.0215	0.2754	0.2754
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0043	0.0223	0.0223
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.07	0.07
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0662	0.9367	0.9367
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0121	0.1368	0.5
Trypanosoma cruzi	Carboxypeptidase-like protein	0.0121	0.1368	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0389	0.533	0.5544
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0121	0.1368	1
Toxoplasma gondii	flagellar/basal body protein	0.0121	0.1368	1
Loa Loa (eye worm)	hypothetical protein	0.0215	0.2754	0.2865
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0032	0.0052	0.0052
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.07	0.0728
Loa Loa (eye worm)	RNA binding protein	0.0076	0.07	0.0728
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0121	0.1368	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0047	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423
Brugia malayi	Latrophilin receptor protein 2	0.0215	0.2754	0.2865
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423
Schistosoma mansoni	voltage-gated potassium channel	0.0047	0.0282	0.0282
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.0181	0.132
Brugia malayi	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1423
Entamoeba histolytica	G protein alpha subunit, putative	0.0028	0	0.5
Schistosoma mansoni	family M14 non-peptidase homologue (M14 family)	0.0121	0.1368	0.1368
Onchocerca volvulus	Carboxypeptidase D homolog	0.0121	0.1368	0.1368
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.0704	1	1
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14	0.0121	0.1368	1
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0121	0.1368	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0662	0.9367	0.9367
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0043	0.0223	0.0223
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Trypanosoma brucei	Carboxypeptidase-like protein	0.0121	0.1368	1
Brugia malayi	TAR-binding protein	0.0076	0.07	0.0728
Schistosoma mansoni	carboxypeptidase N (M14 family)	0.0121	0.1368	0.1368
Schistosoma mansoni	hypothetical protein	0.0215	0.2754	0.2754
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0041	0.0181	0.132
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Plasmodium vivax	hypothetical protein, conserved	0.0121	0.1368	1
Schistosoma mansoni	peptidase	0.0121	0.1368	0.1368
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0662	0.9367	0.9744
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.07	0.07
Brugia malayi	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1423
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0215	0.2754	0.2865
Schistosoma mansoni	peptidase	0.0121	0.1368	0.1368
Trypanosoma cruzi	PAB1-binding protein , putative	0.0104	0.112	0.8115
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0032	0.0052	0.5
Schistosoma mansoni	protease m14 carboxypeptidase	0.0121	0.1368	0.1368
Echinococcus granulosus	tar DNA binding protein	0.0076	0.07	0.07
Loa Loa (eye worm)	hypothetical protein	0.0678	0.9614	1
Schistosoma mansoni	voltage-gated potassium channel	0.0047	0.0282	0.0282
Echinococcus granulosus	cytosolic carboxypeptidase protein 5	0.0121	0.1368	0.1368
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0215	0.2754	0.2754
Trypanosoma brucei	PAB1-binding protein , putative	0.0104	0.112	0.8115
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0138	0.0144
Brugia malayi	latrophilin 2 splice variant baaae	0.0464	0.6439	0.6698
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0043	0.0223	0.0232
Loa Loa (eye worm)	zinc carboxypeptidase	0.0121	0.1368	0.1423
Echinococcus granulosus	cytosolic carboxypeptidase 1	0.0121	0.1368	0.1368
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0121	0.1368	1
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0047	0.0271	0.0271
Schistosoma mansoni	hypothetical protein	0.0121	0.1368	0.1368
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0121	0.1368	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0043	0.0223	0.0232
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0121	0.1368	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0215	0.2754	0.2754
Brugia malayi	RNA binding protein	0.0076	0.07	0.0728
Brugia malayi	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0464	0.6439	0.6698
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0662	0.9367	0.9367
Brugia malayi	Carboxypeptidase A2 precursor	0.0121	0.1368	0.1423
Onchocerca volvulus		0.0121	0.1368	0.1368
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0662	0.9367	0.9367
Brugia malayi	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1423
Brugia malayi	Zinc carboxypeptidase family protein	0.0121	0.1368	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1368	0.1423

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 0 mM	Antiviral activity of the compound against influenza virus A strain H7N7 (FPV) was determined as zone of plaque inhibition	ChEMBL.	No reference
Activity (functional)	= 5 mM	Antiviral effect of the compound was determined against influenza virus A strain H7N7 (FPV) by the difference between zone of plaque inhibition and zone of cytotoxicity	ChEMBL.	No reference
Activity (functional)	= 10 mM	Antiviral effect of the compound was determined against pseudorabies virus strain Anjeszky A2 by the difference between zone of plaque inhibition and zone of cytotoxicity; (6-10 mm)	ChEMBL.	No reference
Activity (functional)	= 10.2 mM	Antiviral activity of the compound against influenza virus A strain H7N7 (FPV) was determined as zone of cytotoxicity	ChEMBL.	No reference
Activity (functional)	= 12 mM	Antiviral effect of the compound was determined against newcastle disease virus strain Russeff (NDV) by the difference between zone of plaque inhibition and zone of cytotoxicity; (11-12 mm)	ChEMBL.	No reference
Activity (functional)	= 15 mM	Antiviral activity of the compound against pseudorabies virus strain Anjeszky A2 was determined as zone of cytotoxicity	ChEMBL.	No reference
Activity (functional)	= 19 mM	Antiviral activity of the compound against newcastle disease virus strain Russeff (NDV) was determined as zone of cytotoxicity	ChEMBL.	No reference
Activity (functional)	= 23.5 mM	Antiviral activity of the compound against pseudorabies virus strain Anjeszky A2 was determined as zone of plaque inhibition	ChEMBL.	No reference
Activity (functional)	= 31.5 mM	Antiviral activity of the compound against newcastle disease virus strain Russeff (NDV) was determined as zone of plaque inhibition	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.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: 255422

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 158339