TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 398.393 | Formula: C18H14N4O5S
H donors: 3 H acceptors: 6 LogP: 4.47 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(cc1)c1csc(n1)N/N=C(\C(=O)O)/Cc1ccccc1[N+](=O)[O-]
InChi: 1S/C18H14N4O5S/c23-13-7-5-11(6-8-13)15-10-28-18(19-15)21-20-14(17(24)25)9-12-3-1-2-4-16(12)22(26)27/h1-8,10,23H,9H2,(H,19,21)(H,24,25)/b20-14-
InChiKey: RIXSYGNFNQCJLM-ZHZULCJRSA-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	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Schistosoma mansoni	cpg binding protein	0.0028	0.0415	0.0404
Echinococcus multilocularis	allatostatin A receptor	0.0012	0.0112	0.0133
Trypanosoma cruzi	fatty acid elongase, putative	0.0301	0.5578	1
Echinococcus granulosus	neuropeptide receptor	0.0012	0.0112	0.0133
Plasmodium vivax	elongation of very long chain fatty acids protein 3, putative	0.0061	0.1029	0.1423
Echinococcus multilocularis	dro:myosuppressin receptor	0.0012	0.0112	0.0133
Echinococcus multilocularis	serotonin receptor	0.0012	0.0112	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0417	0.0375
Schistosoma mansoni	elongation of fatty acids protein 1	0.0061	0.1029	0.1019
Brugia malayi	fatty acid elongation protein 3	0.0061	0.1029	0.0991
Echinococcus granulosus	neuropeptide receptor A26	0.0012	0.0112	0.0133
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0012	0.0112	0.01
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0539	0.0527
Schistosoma mansoni	amine GPCR	0.0012	0.0112	0.01
Echinococcus granulosus	g protein coupled receptor	0.0012	0.0112	0.0133
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0012	0.0112	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus multilocularis	elongation of very long chain fatty acids	0.0061	0.1029	0.1355
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	snurportin 1	0.0304	0.5632	0.7482
Schistosoma mansoni	importin beta-1	0.0028	0.0417	0.0406
Schistosoma mansoni	glutaminase	0.0535	1	1
Trypanosoma cruzi	fatty acid elongase, putative	0.0301	0.5578	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0031	0.0462	0.06
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0034	0.052	0.0461
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0012	0.0112	0.0133
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0417	0.0268
Echinococcus multilocularis	neuropeptide Y receptor	0.0012	0.0112	0.0133
Echinococcus multilocularis	sex peptide receptor	0.0012	0.0112	0.0133
Brugia malayi	G-protein coupled receptor	0.0012	0.0112	0.007
Schistosoma mansoni	amine GPCR	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1724	0.1687
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Loa Loa (eye worm)	TYRA-2 protein	0.0012	0.0112	0.0068
Echinococcus granulosus	tm gpcr rhodopsin	0.0012	0.0112	0.0133
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0539	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Schistosoma mansoni	amine GPCR	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Toxoplasma gondii	integral membrane protein, GNS1/SUR4 family protein, putative	0.0301	0.5578	1
Trypanosoma cruzi	fatty acid elongase, putative	0.0061	0.1029	0.1423
Echinococcus granulosus	somatostatin receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	opsin-like receptor	0.0012	0.0112	0.01
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Toxoplasma gondii	fatty acid elongase	0.0061	0.1029	0.1423
Loa Loa (eye worm)	G-protein coupled receptor	0.0012	0.0112	0.0068
Schistosoma mansoni	hypothetical protein	0.0012	0.0112	0.01
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0031	0.0462	0.06
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0012	0.0112	0.0133
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.0112	0.01
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Onchocerca volvulus		0.0035	0.0539	0.4649
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Brugia malayi	Hypothetical 34.1 kDa protein C40H1.4 in chromosome III	0.0061	0.1029	0.0991
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0539	0.0498
Schistosoma mansoni	biogenic amine receptor	0.0012	0.0112	0.01
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0067	0.114	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0539	0.0496
Echinococcus granulosus	neuropeptide receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Loa Loa (eye worm)	fatty acid elongation protein 3	0.0061	0.1029	0.0989
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0275	0.0232
Onchocerca volvulus		0.0028	0.0415	0.3305
Echinococcus granulosus	dro:myosuppressin receptor	0.0012	0.0112	0.0133
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Echinococcus multilocularis	GPCR, family 2	0.0031	0.0462	0.06
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0539	0.0701
Echinococcus granulosus	biogenic amine 5HT receptor	0.0012	0.0112	0.0133
Brugia malayi	Dopamine receptor	0.0012	0.0112	0.007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0034	0.052	0.0461
Loa Loa (eye worm)	melatonin receptor type 1A	0.0012	0.0112	0.0068
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Brugia malayi	Augmenter of liver regeneration	0.0034	0.052	0.0479
Brugia malayi	GnHR receptor homolog	0.0012	0.0112	0.007
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0539	0.0497
Echinococcus multilocularis	g protein coupled receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	hypothetical protein	0.0012	0.0112	0.01
Trypanosoma cruzi	fatty acid elongase, putative	0.0061	0.1029	0.1423
Trypanosoma brucei	Fatty acid elongase	0.0061	0.1029	0.1423
Echinococcus granulosus	g protein coupled receptor	0.0012	0.0112	0.0133
Brugia malayi	follicle stimulating hormone receptor	0.0012	0.0112	0.007
Schistosoma mansoni	histamine h1 receptor	0.0012	0.0112	0.01
Schistosoma mansoni	neuropeptide receptor	0.0012	0.0112	0.01
Loa Loa (eye worm)	hepatopoietin HPO2	0.0034	0.052	0.0477
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0012	0.0112	0.0133
Trypanosoma cruzi	fatty acid elongase, putative	0.0301	0.5578	1
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0012	0.0112	0.007
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0012	0.0112	0.0133
Brugia malayi	beta-lactamase family protein	0.0035	0.0539	0.0498
Plasmodium falciparum	fatty acid elongation protein, GNS1/SUR4 family, putative	0.0301	0.5578	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0539	0.0496
Schistosoma mansoni	neuropeptide receptor	0.0012	0.0112	0.01
Echinococcus multilocularis	neuropeptide Y receptor	0.0012	0.0112	0.0133
Echinococcus granulosus	neuropeptide Y receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	hypothetical protein	0.0067	0.114	0.113
Echinococcus granulosus	serotonin receptor	0.0012	0.0112	0.0133
Trypanosoma brucei	Long chain fatty acyl elongase	0.0061	0.1029	0.1423
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0012	0.0112	0.007
Schistosoma mansoni	hypothetical protein	0.0012	0.0112	0.01
Plasmodium falciparum	long chain fatty acid elongation enzyme, putative	0.0301	0.5578	1
Echinococcus granulosus	g protein coupled receptor	0.0012	0.0112	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Schistosoma mansoni	neuropeptide F-like receptor	0.0012	0.0112	0.01
Brugia malayi	Dopamine receptor protein 2	0.0012	0.0112	0.007
Brugia malayi	G-protein coupled receptor	0.0012	0.0112	0.007
Echinococcus multilocularis	cpg binding protein	0.003	0.0446	0.0578
Schistosoma mansoni	hypothetical protein	0.0012	0.0112	0.01
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0012	0.0112	0.0133
Echinococcus granulosus	neuropeptide FF receptor 2	0.0012	0.0112	0.0133
Schistosoma mansoni	opsin-like receptor	0.0012	0.0112	0.01
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0061	0.1029	0.0989
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0031	0.0462	0.06
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Onchocerca volvulus	Elongation of very long chain fatty acids protein homolog	0.0061	0.1029	1
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0012	0.0112	0.01
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Leishmania major	fatty acid elongase, putative	0.0301	0.5578	1
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0012	0.0112	0.0068
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	tm gpcr rhodopsin	0.0012	0.0112	0.0133
Brugia malayi	sulfakinin receptor protein	0.0012	0.0112	0.007
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.006	0.1017	0.1006
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Loa Loa (eye worm)	glutaminase	0.0535	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0044	0.0044
Toxoplasma gondii	Erv1 / Alr family protein	0.0034	0.052	0.0461
Brugia malayi	GNS1/SUR4 family protein	0.0061	0.1029	0.0991
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Brugia malayi	fatty acid elongation protein 3	0.0061	0.1029	0.0991
Entamoeba histolytica	hypothetical protein	0.0023	0.0315	1
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0462	0.042
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0539	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0012	0.0112	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0539	0.0496
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0539	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0012	0.0112	0.0133
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0012	0.0112	0.01
Trypanosoma cruzi	fatty acid elongase, putative	0.0061	0.1029	0.1423
Brugia malayi	beta-lactamase family protein	0.0035	0.0539	0.0498
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0012	0.0112	0.0133
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.0112	0.01
Schistosoma mansoni	hypothetical protein	0.0404	0.7524	0.7521
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0012	0.0112	0.01
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0539	0.0539
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0012	0.0112	0.0133
Schistosoma mansoni	cpg binding protein	0.003	0.0446	0.0435
Schistosoma mansoni	cpg binding protein	0.003	0.0446	0.0435
Echinococcus multilocularis	fmrfamide receptor	0.0012	0.0112	0.0133
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0012	0.0112	0.0068
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0031	0.0462	0.06
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Echinococcus granulosus	7TM GPCR rhodopsin	0.0012	0.0112	0.0133
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0275	0.0234
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0012	0.0112	0.0133
Echinococcus granulosus	neuropeptides capa receptor	0.0012	0.0112	0.0133
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Trypanosoma cruzi	fatty acid elongase, putative	0.0061	0.1029	0.1423
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0539	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Brugia malayi	larval opioid receptor	0.0012	0.0112	0.007
Schistosoma mansoni	elongation of fatty acids protein 1	0.0061	0.1029	0.1019
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Echinococcus multilocularis	elongation of very long chain fatty acids	0.0061	0.1029	0.1355
Schistosoma mansoni	hypothetical protein	0.0304	0.5632	0.5627
Echinococcus multilocularis	neuropeptide s receptor	0.0012	0.0112	0.0133
Echinococcus granulosus	hypothetical protein	0.0012	0.0112	0.0133
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0012	0.0112	0.0133
Brugia malayi	Importin beta-1 subunit	0.0028	0.0417	0.0377
Trichomonas vaginalis	ran, putative	0.0021	0.0275	0.0275
Brugia malayi	neuropeptide F receptor	0.0012	0.0112	0.007
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0012	0.0112	0.01
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0275	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0417	0.0268
Schistosoma mansoni	amine GPCR	0.0012	0.0112	0.01
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0275	0.0351
Plasmodium falciparum	long chain polyunsaturated fatty acid elongation enzyme, putative	0.0061	0.1029	0.1423
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0315	0.0076
Loa Loa (eye worm)	glutaminase 2	0.0535	1	1
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0034	0.052	0.0461
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0012	0.0112	0.0133
Echinococcus granulosus	neuropeptides capa receptor	0.0012	0.0112	0.0133
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0539	0.0539
Brugia malayi	fatty acid elongation protein 3	0.0061	0.1029	0.0991
Schistosoma mansoni	neuropeptide receptor	0.0012	0.0112	0.01
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0012	0.0112	0.01
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0012	0.0112	0.0133
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0097	0.1724	0.1689
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0034	0.052	0.0676
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.114	0.1102
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Brugia malayi	putative neuropeptide receptor NPR1	0.0012	0.0112	0.007
Onchocerca volvulus		0.0035	0.0539	0.4649
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	fmrfamide receptor	0.0012	0.0112	0.0133
Brugia malayi	GNS1/SUR4 family protein	0.0301	0.5578	0.5559
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0539	0.0496
Leishmania major	hypothetical protein, conserved	0.0034	0.052	0.0461
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0034	0.052	0.0461
Brugia malayi	putative neuropeptide receptor	0.0012	0.0112	0.007
Trypanosoma cruzi	fatty acid elongase, putative	0.0061	0.1029	0.1423
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0012	0.0112	0.0133
Onchocerca volvulus	Elongation of very long chain fatty acids protein homolog	0.0061	0.1029	1
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Echinococcus multilocularis	somatostatin receptor	0.0012	0.0112	0.0133
Onchocerca volvulus		0.0035	0.0539	0.4649
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0539	0.5
Toxoplasma gondii	ABC1 family protein	0.0035	0.0539	0.0497
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0012	0.0112	0.0133
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0417	0.054
Brugia malayi	Latrophilin receptor protein 2	0.0031	0.0462	0.0422
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0012	0.0112	0.0068
Schistosoma mansoni	fatty acid acyl transferase-related	0.0061	0.1029	0.1019
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0417	0.0268
Echinococcus multilocularis	snurportin 1	0.0304	0.5632	0.7482
Loa Loa (eye worm)	GNS1/SUR4 family protein	0.0301	0.5578	0.5558
Echinococcus granulosus	biogenic amine 5HT receptor	0.0012	0.0112	0.0133
Loa Loa (eye worm)	fatty acid elongation protein 3	0.0301	0.5578	0.5558
Brugia malayi	neuropeptide F receptor	0.0012	0.0112	0.007
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0415	0.0372
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0012	0.0112	0.0133
Schistosoma mansoni	hypothetical protein	0.0031	0.0462	0.0451
Brugia malayi	G protein-coupled receptor	0.0012	0.0112	0.007
Schistosoma mansoni	elongation of fatty acids protein 1	0.0061	0.1029	0.1019
Echinococcus multilocularis	dnaJ subfamily B	0.0404	0.7524	1
Loa Loa (eye worm)	neuropeptide F receptor	0.0012	0.0112	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Loa Loa (eye worm)	ELO-9 protein	0.0061	0.1029	0.0989
Leishmania major	fatty acid elongase, putative	0.0301	0.5578	1
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	growth hormone secretagogue receptor	0.0012	0.0112	0.01
Echinococcus granulosus	sex peptide receptor	0.0012	0.0112	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0031	0.0462	0.042
Echinococcus multilocularis	g protein coupled receptor	0.0012	0.0112	0.0133
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0012	0.0112	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0539	0.0497
Echinococcus granulosus	7tm_1 domain containing protein	0.0012	0.0112	0.0133
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0034	0.052	0.0676
Brugia malayi	Fatty acid elongation protein 3	0.0301	0.5578	0.5559
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	orexin receptor type 2	0.0012	0.0112	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0539	0.0496
Trichomonas vaginalis	glutaminase, putative	0.0535	1	1
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0012	0.0112	0.007
Loa Loa (eye worm)	G-protein coupled receptor	0.0012	0.0112	0.0068
Schistosoma mansoni	myosin xvIII	0.0012	0.0112	0.01
Echinococcus multilocularis	neuropeptides capa receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.0112	0.01
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Echinococcus multilocularis	neuropeptides capa receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	neuropeptide F-like receptor	0.0012	0.0112	0.01
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.0112	0.01
Trypanosoma cruzi	fatty acid elongase, putative	0.0301	0.5578	1
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0012	0.0112	0.007
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0539	0.0496
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0539	0.0497
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0097	0.1724	0.1689
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0034	0.052	0.0461
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.0112	0.01
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus multilocularis	g-protein coupled receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	biogenic amine receptor	0.0012	0.0112	0.01
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0315	0.0315
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0539	0.0497
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Leishmania major	long chain polyunsaturated fatty acid elongation enzyme-like protein	0.0061	0.1029	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus multilocularis	g protein coupled receptor	0.0012	0.0112	0.0133
Trypanosoma brucei	elongation of very long chain fatty acids protein, putative	0.0061	0.1029	0.1423
Brugia malayi	ORL1-like opioid receptor	0.0012	0.0112	0.007
Toxoplasma gondii	Erv1 / Alr family protein	0.0034	0.052	0.0461
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0275	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0012	0.0112	0.0133
Trypanosoma brucei	Fatty acid elongase	0.0301	0.5578	1
Brugia malayi	G protein-coupled receptor F59B2.13	0.0012	0.0112	0.007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0012	0.0112	0.01
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0012	0.0112	0.0133
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0315	0.0315
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0097	0.1724	0.1687
Brugia malayi	beta-lactamase	0.0035	0.0539	0.0498
Schistosoma mansoni	amine GPCR	0.0012	0.0112	0.01
Echinococcus granulosus	cpg binding protein	0.003	0.0446	0.0578
Onchocerca volvulus		0.0061	0.1029	1
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	opsin-like receptor	0.0012	0.0112	0.01
Schistosoma mansoni	ran	0.0021	0.0275	0.0264
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0304	0.5632	0.5613
Trypanosoma brucei	Fatty acid elongase	0.0061	0.1029	0.1423
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Brugia malayi	Serotonin receptor	0.0012	0.0112	0.007
Brugia malayi	Melatonin receptor type 1A	0.0012	0.0112	0.007
Echinococcus granulosus	G protein coupled receptor 139	0.0012	0.0112	0.0133
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0012	0.0112	0.01
Echinococcus multilocularis	fmrfamide receptor	0.0012	0.0112	0.0133
Toxoplasma gondii	GNS1/SUR4 family protein	0.0301	0.5578	1
Schistosoma mansoni	biogenic amine receptor	0.0012	0.0112	0.01
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0417	0.0268
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0539	0.0496
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0012	0.0112	0.01
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0012	0.0112	0.007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Loa Loa (eye worm)	fatty acid elongation protein 3	0.0061	0.1029	0.0989
Schistosoma mansoni	adenoreceptor	0.0012	0.0112	0.01
Schistosoma mansoni	ran	0.0021	0.0275	0.0264
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0539	0.0539
Plasmodium vivax	GNS1/SUR4 domain containing protein	0.0301	0.5578	1
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0034	0.052	0.0461
Echinococcus granulosus	GPCR family 2	0.0031	0.0462	0.06
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0012	0.0112	0.0133
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0012	0.0112	0.0068
Echinococcus multilocularis	serotonin receptor	0.0012	0.0112	0.0133
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0012	0.0112	0.0133
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0054	0.0895	0.117
Brugia malayi	AKH receptor	0.0012	0.0112	0.007
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0415	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	dnaJ subfamily B	0.0404	0.7524	1
Leishmania major	fatty acid elongase, putative	0.0301	0.5578	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus multilocularis	G protein coupled receptor 139	0.0012	0.0112	0.0133
Plasmodium vivax	long chain polyunsaturated fatty acid elongation enzyme, putative	0.0061	0.1029	0.1423
Schistosoma mansoni	hypothetical protein	0.0031	0.0462	0.0451
Loa Loa (eye worm)	GNS1/SUR4 family protein	0.0061	0.1029	0.0989
Brugia malayi	hypothetical protein	0.0012	0.0112	0.007
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0417	0.054
Schistosoma mansoni	neuropeptide receptor	0.0012	0.0112	0.01
Loa Loa (eye worm)	neuropeptide F receptor	0.0012	0.0112	0.0068
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0539	0.5
Echinococcus multilocularis	neuropeptide receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0012	0.0112	0.01
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Brugia malayi	RNA, U transporter 1	0.0081	0.1411	0.1375
Loa Loa (eye worm)	fatty acid elongation protein 3	0.0061	0.1029	0.0989
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0031	0.0462	0.0422
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0012	0.0112	0.0133
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0012	0.0112	0.01
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Schistosoma mansoni	hypothetical protein	0.0031	0.0462	0.0451
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0012	0.0112	0.01
Onchocerca volvulus	Elongation of very long chain fatty acids protein 5 homolog	0.0061	0.1029	1
Trichomonas vaginalis	esterase, putative	0.0035	0.0539	0.0539
Echinococcus granulosus	g-protein coupled receptor	0.0012	0.0112	0.0133
Brugia malayi	Serotonin receptor	0.0012	0.0112	0.007
Schistosoma mansoni	hypothetical protein	0.0031	0.0462	0.0451
Trypanosoma cruzi	fatty acid elongase, putative	0.0061	0.1029	0.1423
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0315	0.0315
Schistosoma mansoni	elongation of fatty acids protein 1	0.0061	0.1029	0.1019
Echinococcus granulosus	rhodopsin orphan GPCR	0.0012	0.0112	0.0133
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0315	0.0076
Brugia malayi	RE15519p	0.0012	0.0112	0.007
Plasmodium falciparum	importin beta, putative	0.0028	0.0417	0.0268
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0012	0.0112	0.007
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0012	0.0112	0.0133
Echinococcus granulosus	allatostatin A receptor	0.0012	0.0112	0.0133
Echinococcus granulosus	tm gpcr rhodopsin	0.0012	0.0112	0.0133
Onchocerca volvulus		0.0061	0.1029	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Schistosoma mansoni	neuropeptide f receptor 76f	0.0012	0.0112	0.01
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.4096	1
Leishmania major	hypothetical protein, conserved	0.0035	0.0539	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus multilocularis	neuropeptide receptor A26	0.0012	0.0112	0.0133
Echinococcus multilocularis	orexin receptor type 2	0.0012	0.0112	0.0133
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0539	0.0496
Leishmania major	fatty acid elongase, putative	0.0061	0.1029	0.1423
Brugia malayi	fatty acid elongation protein 3	0.0061	0.1029	0.0991
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	elongation of very long chain fatty acids	0.0061	0.1029	0.1355
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0012	0.0112	0.0133
Mycobacterium ulcerans	glutaminase	0.0535	1	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Echinococcus granulosus	neuropeptide s receptor	0.0012	0.0112	0.0133
Echinococcus granulosus	elongation of very long chain fatty acids	0.0061	0.1029	0.1355
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0112	0.0068
Brugia malayi	Dopamine receptor protein 1	0.0012	0.0112	0.007
Echinococcus granulosus	neuropeptide Y receptor	0.0012	0.0112	0.0133
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0012	0.0112	0.01

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Competitive binding affinity to human full length recombinant GST-tagged eIF4E expressed in Escherichia coli BL21(DE3) assessed as inhibition of eIF4E/eIF4G interaction by fluorescence polarization assay relative to parent compound	ChEMBL.	24675136
Inhibition (binding)		Inhibition of eIF4E/eIF4G interaction in human CRL2813 cells assessed as downregulation of survivin protein expression at 15 to 30 uM after 6 hrs by Western blotting analysis	ChEMBL.	24675136
Inhibition (binding)		Inhibition of eIF4E/eIF4G interaction in human CRL2813 cells assessed as downregulation of cyclin D1 protein expression at 15 to 30 uM after 6 hrs by Western blotting analysis	ChEMBL.	24675136
Inhibition (binding)		Inhibition of eIF4E/eIF4G interaction in human CRL2813 cells assessed as downregulation of survivin mRNA expression at 30 uM after 6 hrs by RT-PCR analysis	ChEMBL.	24675136
Inhibition (binding)		Inhibition of eIF4E/eIF4G interaction in human CRL2813 cells assessed as downregulation of cyclin E mRNA expression at 30 uM after 6 hrs by RT-PCR analysis	ChEMBL.	24675136
Inhibition (binding)		Inhibition of eIF4E/eIF4G interaction in human CRL2813 cells assessed as downregulation of cyclin E protein expression at 15 to 30 uM after 6 hrs by Western blotting analysis	ChEMBL.	24675136
Inhibition (binding)		Inhibition of eIF4E/eIF4G interaction in human CRL2813 cells assessed as downregulation of cyclin D1 mRNA expression at 30 uM after 6 hrs by RT-PCR analysis	ChEMBL.	24675136
Kd (binding)	= 36.6 mM	Binding affinity to human full length recombinant GST-tagged eIF4E expressed in Escherichia coli BL21(DE3) by intrinsic tryptophan fluorescence quenching method	ChEMBL.	24675136

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: CHEMBL3310347

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 916828