TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 396.522 | Formula: C24H32N2O3
H donors: 1 H acceptors: 2 LogP: 3.75 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCCO/C(=C/1\C(=NC2=C(C1c1ccc(cc1)N(C)C)C(=O)CC(C2)(C)C)C)/O
InChi: 1S/C24H32N2O3/c1-7-12-29-23(28)20-15(2)25-18-13-24(3,4)14-19(27)22(18)21(20)16-8-10-17(11-9-16)26(5)6/h8-11,21,28H,7,12-14H2,1-6H3/b23-20+
InChiKey: HOXPALCKNFQCJK-BSYVCWPDSA-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	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	aldo keto reductase	0.0076	0.0604	0.2041
Echinococcus granulosus	CREB binding protein	0.0026	0.009	0.0168
Echinococcus multilocularis	somatostatin receptor	0.0112	0.0984	0.0944
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.0104	0.0814
Loa Loa (eye worm)	5-hydroxytryptamine 2C receptor	0.0112	0.0984	0.3427
Trichomonas vaginalis	aldo-keto reductase, putative	0.0022	0.0044	0.0561
Echinococcus granulosus	g protein coupled receptor	0.0112	0.0984	0.3427
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Brugia malayi	gonadotropin-releasing hormone receptor 2	0.0112	0.0984	0.3427
Echinococcus granulosus	allatostatin A receptor	0.0112	0.0984	0.3427
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0112	0.0984	0.0944
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0076	0.0604	0.7707
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0076	0.0604	0.2041
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0082	0.067	0.0628
Leishmania major	carnitine palmitoyltransferase-like protein	0.0028	0.0104	0.0814
Schistosoma mansoni	amine GPCR	0.0112	0.0984	0.6401
Brugia malayi	Dopamine receptor protein 2	0.0112	0.0984	0.3427
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.0112	0.0984	0.6401
Onchocerca volvulus		0.0028	0.0104	0.064
Echinococcus granulosus	tm gpcr rhodopsin	0.0112	0.0984	0.3427
Echinococcus granulosus	CREB binding protein	0.0026	0.009	0.0168
Onchocerca volvulus		0.0112	0.0984	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0112	0.0984	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0112	0.0984	0.6401
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0112	0.0984	0.0944
Echinococcus granulosus	orexin receptor type 2	0.0112	0.0984	0.3427
Schistosoma mansoni	N-myristoyltransferase	0.0093	0.0783	0.5036
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0028	0.0104	0.0814
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0112	0.0984	0.0944
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Echinococcus multilocularis	fmrfamide receptor	0.0112	0.0984	0.0944
Brugia malayi	ORL1-like opioid receptor	0.0112	0.0984	0.3427
Brugia malayi	Unidentified vitellogenin-linked transcript protein 6, putative	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0112	0.0984	1
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0112	0.0984	0.6401
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0112	0.0984	0.6401
Trypanosoma brucei	N-myristoyltransferase	0.0093	0.0783	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0076	0.0604	0.2041
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Schistosoma mansoni	amine GPCR	0.0112	0.0984	0.6401
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0109	0.0946	0.0906
Onchocerca volvulus		0.0112	0.0984	1
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0112	0.0984	0.0944
Echinococcus multilocularis	neuropeptide receptor	0.0112	0.0984	0.0944
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0112	0.0984	0.0944
Brugia malayi	Choline O-acetyltransferase	0.0116	0.1023	0.3572
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0028	0.0104	0.0219
Loa Loa (eye worm)	acetyltransferase	0.0109	0.0946	0.3291
Schistosoma mansoni	hypothetical protein	0.0112	0.0984	0.6401
Brugia malayi	GnHR receptor homolog	0.0112	0.0984	0.3427
Echinococcus granulosus	tachykinin peptides receptor 99D	0.0112	0.0984	0.3427
Schistosoma mansoni	amine GPCR	0.0112	0.0984	0.6401
Loa Loa (eye worm)	oxidoreductase	0.0076	0.0604	0.2041
Echinococcus granulosus	rhodopsin orphan GPCR	0.0112	0.0984	0.3427
Schistosoma mansoni	biogenic amine receptor	0.0112	0.0984	0.6401
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0112	0.0984	0.6401
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus granulosus	choline O acetyltransferase	0.0116	0.1023	0.3572
Brugia malayi	follicle stimulating hormone receptor	0.0112	0.0984	0.3427
Loa Loa (eye worm)	unidentified vitellogenin-linked transcript protein 6	0.0112	0.0984	0.3427
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0082	0.067	0.8462
Loa Loa (eye worm)	G-protein coupled receptor	0.0112	0.0984	0.3427
Echinococcus granulosus	g protein coupled receptor	0.0112	0.0984	0.3427
Echinococcus granulosus	fmrfamide receptor	0.0112	0.0984	0.3427
Entamoeba histolytica	glycylpeptide N-tetradecanoyltransferase, putative	0.0093	0.0783	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0112	0.0984	0.3427
Echinococcus granulosus	thyrotropin releasing hormone receptor	0.0112	0.0984	0.3427
Echinococcus multilocularis	aldehyde reductase	0.0054	0.0375	0.0333
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0028	0.0104	0.0814
Echinococcus multilocularis	thyrotropin releasing hormone receptor	0.0112	0.0984	0.0944
Schistosoma mansoni	neuropeptide receptor	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Loa Loa (eye worm)	oxidoreductase	0.0076	0.0604	0.2041
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Loa Loa (eye worm)	gonadotropin-releasing hormone receptor 2	0.0112	0.0984	0.3427
Schistosoma mansoni	hypothetical protein	0.0112	0.0984	0.6401
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0109	0.0946	0.6148
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0112	0.0984	0.3427
Loa Loa (eye worm)	neuropeptide F receptor	0.0112	0.0984	0.3427
Echinococcus granulosus	7TM GPCR rhodopsin	0.0112	0.0984	0.3427
Brugia malayi	Melatonin receptor type 1A	0.0112	0.0984	0.3427
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.0104	0.0814
Schistosoma mansoni	myosin xvIII	0.0112	0.0984	0.6401
Trichomonas vaginalis	aldo-keto reductase, putative	0.0022	0.0044	0.0561
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0112	0.0984	0.6401
Echinococcus multilocularis	neuropeptides capa receptor	0.0112	0.0984	0.0944
Mycobacterium leprae	PROBABLE NAPHTHOATE SYNTHASE MENB (DIHYDROXYNAPHTHOIC ACID SYNTHETASE) (DHNA SYNTHETASE)	0.0462	0.4625	1
Leishmania major	aldo-keto reductase-like protein	0.0076	0.0604	0.757
Loa Loa (eye worm)	hypothetical protein	0.0286	0.2786	1
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0112	0.0984	0.6401
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0076	0.0604	0.2041
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0028	0.0104	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0082	0.067	0.2282
Schistosoma mansoni	amine GPCR	0.0112	0.0984	0.6401
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0076	0.0604	0.2041
Brugia malayi	N-myristoyltransferase 2	0.0093	0.0783	0.2696
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0093	0.0783	1
Schistosoma mansoni	opsin-like receptor	0.0112	0.0984	0.6401
Echinococcus granulosus	biogenic amine 5HT receptor	0.0112	0.0984	0.3427
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.0104	0.0814
Echinococcus multilocularis	neuropeptide s receptor	0.0112	0.0984	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Mycobacterium leprae	Conserved hypothetical protein	0.0054	0.0375	0.0723
Echinococcus granulosus	g protein coupled receptor	0.0112	0.0984	0.3427
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0112	0.0984	0.6401
Onchocerca volvulus		0.0112	0.0984	1
Brugia malayi	putative neuropeptide receptor	0.0112	0.0984	0.3427
Echinococcus multilocularis	fmrfamide receptor	0.0112	0.0984	0.0944
Echinococcus multilocularis	CREB binding protein	0.0026	0.009	0.0046
Schistosoma mansoni	aldo-keto reductase	0.0076	0.0604	0.3813
Echinococcus granulosus	rhodopsin orphan GPCR	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0112	0.0984	1
Echinococcus granulosus	neuropeptide receptor	0.0112	0.0984	0.3427
Echinococcus multilocularis	alpha 1A adrenergic receptor	0.0112	0.0984	0.0944
Echinococcus multilocularis	CREB binding protein	0.0026	0.009	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Mycobacterium ulcerans	naphthoate synthase	0.0462	0.4625	1
Brugia malayi	TAZ zinc finger family protein	0.0163	0.1512	0.5354
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Brugia malayi	G-protein coupled receptor	0.0112	0.0984	0.3427
Loa Loa (eye worm)	melatonin receptor type 1A	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Trichomonas vaginalis	conserved hypothetical protein	0.0022	0.0044	0.0561
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0043	0.0259	0.3843
Loa Loa (eye worm)	hypothetical protein	0.0082	0.067	0.2282
Onchocerca volvulus		0.0112	0.0984	1
Schistosoma mansoni	pol-related	0.0076	0.0604	0.3813
Echinococcus granulosus	rhodopsin orphan GPCR	0.0112	0.0984	0.3427
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0112	0.0984	0.0944
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0043	0.0259	0.3843
Brugia malayi	Serotonin receptor	0.0112	0.0984	0.3427
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0422	0.1377
Echinococcus multilocularis	neuropeptide receptor A26	0.0112	0.0984	0.0944
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0028	0.0104	0.0219
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0082	0.067	0.8462
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.2786	1
Onchocerca volvulus		0.0076	0.0604	0.5956
Brugia malayi	hypothetical protein	0.0286	0.2786	1
Plasmodium falciparum	glycylpeptide N-tetradecanoyltransferase	0.0093	0.0783	1
Entamoeba histolytica	aldose reductase, putative	0.0076	0.0604	0.757
Trypanosoma brucei	prostaglandin f synthase	0.0076	0.0604	0.757
Echinococcus multilocularis	aldo keto reductase	0.0076	0.0604	0.0562
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0076	0.0604	0.2041
Echinococcus multilocularis	growth hormone secretagogue receptor type 1	0.0112	0.0984	0.0944
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0076	0.0604	0.7707
Brugia malayi	G protein-coupled receptor F59B2.13	0.0112	0.0984	0.3427
Echinococcus multilocularis	glycylpeptide N tetradecanoyltransferase	0.0093	0.0783	0.0742
Loa Loa (eye worm)	choline O-acetyltransferase	0.0116	0.1023	0.3572
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0112	0.0984	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Schistosoma mansoni	opsin-like receptor	0.0112	0.0984	0.6401
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.0104	0.0814
Giardia lamblia	CDC72	0.0093	0.0783	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	pyroglutamylated rfamide peptide receptor	0.0112	0.0984	0.0944
Echinococcus granulosus	neuropeptides capa receptor	0.0112	0.0984	0.3427
Toxoplasma gondii	aldose reductase, putative	0.0076	0.0604	1
Loa Loa (eye worm)	oxidoreductase	0.0076	0.0604	0.2041
Schistosoma mansoni	neuropeptide F-like receptor	0.0112	0.0984	0.6401
Echinococcus multilocularis	dro:myosuppressin receptor	0.0112	0.0984	0.0944
Schistosoma mansoni	peptide (FMRFamide/somatostatin)-like receptor	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0028	0.0104	0.006
Leishmania major	N-myristoyl transferase, putative	0.0093	0.0783	1
Echinococcus granulosus	alpha 1A adrenergic receptor	0.0112	0.0984	0.3427
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0028	0.0104	0.0814
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Echinococcus multilocularis	g protein coupled receptor	0.0112	0.0984	0.0944
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0112	0.0984	0.0944
Schistosoma mansoni	CREB-binding protein 1 (SmCBP1)	0.0163	0.1512	1
Echinococcus multilocularis	aldo keto reductase	0.0076	0.0604	0.0562
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Brugia malayi	Serotonin receptor	0.0112	0.0984	0.3427
Echinococcus granulosus	tm gpcr rhodopsin	0.0112	0.0984	0.3427
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0422	0.2572
Giardia lamblia	Aldose reductase	0.0076	0.0604	0.6889
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Echinococcus multilocularis	G-protein coupled receptor, putative	0.0112	0.0984	0.0944
Entamoeba histolytica	aldose reductase, putative	0.0076	0.0604	0.757
Schistosoma mansoni	neuropeptide f receptor 76f	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Brugia malayi	acetyltransferase, GNAT family protein	0.0109	0.0946	0.3291
Schistosoma mansoni	hypothetical protein	0.0112	0.0984	0.6401
Echinococcus granulosus	glycylpeptide N tetradecanoyltransferase	0.0093	0.0783	0.2696
Echinococcus multilocularis	g protein coupled receptor	0.0112	0.0984	0.0944
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Schistosoma mansoni	thyrotropin-releasing hormone receptor	0.0112	0.0984	0.6401
Schistosoma mansoni	neuropeptide receptor	0.0112	0.0984	0.6401
Schistosoma mansoni	biogenic amine receptor	0.0112	0.0984	0.6401
Onchocerca volvulus		0.0112	0.0984	1
Giardia lamblia	Aldose reductase	0.0076	0.0604	0.6889
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0206	0.219
Brugia malayi	neuropeptide F receptor	0.0112	0.0984	0.3427
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0076	0.0604	0.2041
Loa Loa (eye worm)	CBP-B	0.0114	0.1001	0.349
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0112	0.0984	0.0944
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0028	0.0104	0.0814
Brugia malayi	Dopamine receptor protein 1	0.0112	0.0984	0.3427
Schistosoma mansoni	neuropeptide F-like receptor	0.0112	0.0984	0.6401
Schistosoma mansoni	muscarinic acetylcholine (GAR) receptor	0.0112	0.0984	0.6401
Echinococcus granulosus	pyroglutamylated rfamide peptide receptor	0.0112	0.0984	0.3427
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0112	0.0984	0.6401
Schistosoma mansoni	opsin-like receptor	0.0112	0.0984	0.6401
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0112	0.0984	0.0944
Brugia malayi	G-protein-linked acetylcholine receptor protein 2, putative	0.0112	0.0984	0.3427
Brugia malayi	Serotonin/octopamine receptor family protein 7	0.0112	0.0984	0.3427
Echinococcus granulosus	aldehyde reductase	0.0054	0.0375	0.1209
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0112	0.0984	0.0944
Schistosoma mansoni	choline o-acyltransferase	0.0116	0.1023	0.6672
Leishmania major	prostaglandin f synthase, putative	0.0076	0.0604	0.757
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0028	0.0104	0.0814
Mycobacterium tuberculosis	Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase)	0.0462	0.4625	1
Echinococcus granulosus	g protein linked acetylcholine receptor gar 2a	0.0112	0.0984	0.3427
Schistosoma mansoni	neuropeptide receptor	0.0112	0.0984	0.6401
Brugia malayi	putative neuropeptide receptor NPR1	0.0112	0.0984	0.3427
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0112	0.0984	0.6401
Onchocerca volvulus	Dopamine\/Ecdysteroid receptor homolog	0.0112	0.0984	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Trypanosoma brucei	hypothetical protein, conserved	0.0028	0.0104	0.0814
Onchocerca volvulus		0.0028	0.0104	0.064
Echinococcus granulosus	neuropeptide Y receptor	0.0112	0.0984	0.3427
Echinococcus granulosus	neuropeptide receptor	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Brugia malayi	G protein-coupled receptor	0.0112	0.0984	0.3427
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0093	0.0783	1
Schistosoma mansoni	growth hormone secretagogue receptor	0.0112	0.0984	0.6401
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Schistosoma mansoni	histamine-responsive GPCR (AAF21638)	0.0112	0.0984	0.6401
Echinococcus granulosus	aldo keto reductase	0.0076	0.0604	0.2041
Echinococcus multilocularis	serotonin receptor	0.0112	0.0984	0.0944
Brugia malayi	sulfakinin receptor protein	0.0112	0.0984	0.3427
Echinococcus granulosus	somatostatin receptor	0.0112	0.0984	0.3427
Echinococcus multilocularis	aldo keto reductase	0.0076	0.0604	0.0562
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	serotonin receptor	0.0112	0.0984	0.0944
Echinococcus granulosus	rhodopsin orphan GPCR	0.0112	0.0984	0.3427
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0076	0.0604	0.1222
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Schistosoma mansoni	biogenic amine receptor	0.0112	0.0984	0.6401
Brugia malayi	RE15519p	0.0112	0.0984	0.3427
Brugia malayi	Choline O-acetyltransferase	0.0116	0.1023	0.3572
Onchocerca volvulus		0.0028	0.0104	0.064
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0028	0.0104	0.0814
Onchocerca volvulus		0.0076	0.0604	0.5956
Echinococcus multilocularis	neuropeptides capa receptor	0.0112	0.0984	0.0944
Echinococcus multilocularis	g-protein coupled receptor	0.0112	0.0984	0.0944
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0076	0.0604	0.2041
Echinococcus multilocularis	choline O acetyltransferase	0.0116	0.1023	0.0984
Echinococcus granulosus	neuropeptide s receptor	0.0112	0.0984	0.3427
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0028	0.0104	0.0814
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0076	0.0604	0.2041
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0022	0.0044	0.0561
Schistosoma mansoni	peptide (allatostatin/somatostatin)-like receptor	0.0112	0.0984	0.6401
Schistosoma mansoni	CREB-binding protein 2	0.0163	0.1512	1
Brugia malayi	Dopamine receptor	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0112	0.0984	1
Echinococcus granulosus	dro:myosuppressin receptor	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Trichomonas vaginalis	aldo/keto reductase, putative	0.0076	0.0604	0.7707
Loa Loa (eye worm)	N-myristoyltransferase 2	0.0093	0.0783	0.2696
Trypanosoma cruzi	aldo-keto reductase	0.0076	0.0604	0.757
Echinococcus multilocularis	CREB binding protein	0.0026	0.009	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus granulosus	neuropeptide Y receptor	0.0112	0.0984	0.3427
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Onchocerca volvulus	Neuropeptide F receptor homolog	0.0112	0.0984	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0058	0.0422	0.4019
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0112	0.0984	0.0944
Leishmania major	carnitine/choline acetyltransferase, putative	0.0028	0.0104	0.0814
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	aldo keto reductase	0.0076	0.0604	0.0562
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.2786	0.2754
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0028	0.0104	0.0219
Echinococcus granulosus	7tm_1 domain containing protein	0.0112	0.0984	0.3427
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0082	0.067	0.8462
Schistosoma mansoni	rhodopsin-like orphan GPCR	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Schistosoma mansoni	peptide (allatostatin)-like receptor	0.0112	0.0984	0.6401
Onchocerca volvulus		0.0076	0.0604	0.5956
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0601	0.2031
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0043	0.0259	0.3307
Schistosoma mansoni	adenoreceptor	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0028	0.0104	0.0814
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0076	0.0604	0.2041
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0112	0.0984	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Trichomonas vaginalis	aldo-keto reductase, putative	0.0022	0.0044	0.0561
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	neuropeptide Y receptor	0.0112	0.0984	0.0944
Brugia malayi	AKH receptor	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0112	0.0984	1
Onchocerca volvulus		0.0112	0.0984	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0076	0.0604	0.757
Echinococcus multilocularis	neuropeptide Y receptor	0.0112	0.0984	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Schistosoma mansoni	hypothetical protein	0.0112	0.0984	0.6401
Echinococcus granulosus	rhodopsin orphan GPCR	0.0112	0.0984	0.3427
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0028	0.0104	0.0814
Mycobacterium ulcerans	oxidoreductase	0.0076	0.0604	0.1222
Brugia malayi	G-protein coupled receptor	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0076	0.0604	0.5956
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0076	0.0604	0.757
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0112	0.0984	0.6401
Loa Loa (eye worm)	G-protein-linked acetylcholine receptor protein 2	0.0112	0.0984	0.3427
Echinococcus multilocularis	sex peptide receptor	0.0112	0.0984	0.0944
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0076	0.0604	0.2041
Onchocerca volvulus		0.0112	0.0984	1
Echinococcus granulosus	neuropeptide FF receptor 2	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0028	0.0104	0.064
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0028	0.0104	0.0814
Brugia malayi	Dopamine receptor protein 1, putative (partial)	0.0112	0.0984	0.3427
Plasmodium vivax	glycylpeptide N-tetradecanoyltransferase, putative	0.0093	0.0783	1
Echinococcus granulosus	neuropeptide receptor A26	0.0112	0.0984	0.3427
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0112	0.0984	0.0944
Echinococcus granulosus	CREB binding protein	0.0101	0.0871	0.3016
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0082	0.067	0.2282
Schistosoma mansoni	histamine h1 receptor	0.0112	0.0984	0.6401
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0076	0.0604	0.2041
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	orexin receptor type 2	0.0112	0.0984	0.0944
Onchocerca volvulus		0.0112	0.0984	1
Trichomonas vaginalis	N-myristoyl transferase, putative	0.0061	0.0451	0.5764
Trichomonas vaginalis	aldo/keto reductase, putative	0.0076	0.0604	0.7707
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0043	0.0259	0.3307
Onchocerca volvulus		0.0076	0.0604	0.5956
Schistosoma mansoni	hypothetical protein	0.0058	0.0422	0.2572
Brugia malayi	Tachykinin-like peptides receptor 99D	0.0112	0.0984	0.3427
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Echinococcus granulosus	g-protein coupled receptor	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0112	0.0984	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	neuropeptide FF receptor 2	0.0112	0.0984	0.0944
Schistosoma mansoni	aldo-keto reductase	0.0076	0.0604	0.3813
Echinococcus granulosus	biogenic amine 5HT receptor	0.0112	0.0984	0.3427
Trypanosoma cruzi	N-myristoyl transferase, putative	0.0093	0.0783	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Trypanosoma cruzi	hypothetical protein, conserved	0.0028	0.0104	0.0814
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0043	0.0259	0.2909
Echinococcus granulosus	serotonin receptor	0.0112	0.0984	0.3427
Schistosoma mansoni	choline o-acyltransferase	0.0028	0.0104	0.041
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0091	0.0762	0.2619
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus granulosus	neuropeptides capa receptor	0.0112	0.0984	0.3427
Schistosoma mansoni	neuropeptide receptor	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	allatostatin A receptor	0.0112	0.0984	0.0944
Echinococcus multilocularis	peptide (allatostatin:somatostatin)	0.0112	0.0984	0.0944
Echinococcus granulosus	hypothetical protein	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	rhodopsin orphan GPCR	0.0112	0.0984	0.0944
Echinococcus granulosus	G protein coupled receptor 139	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus granulosus	hypothetical protein	0.0076	0.0604	0.2041
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Loa Loa (eye worm)	oxidoreductase	0.0076	0.0604	0.2041
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Onchocerca volvulus		0.0076	0.0604	0.5956
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Onchocerca volvulus		0.0112	0.0984	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Echinococcus multilocularis	CREB binding protein	0.0113	0.0986	0.0947
Loa Loa (eye worm)	G-protein coupled receptor	0.0112	0.0984	0.3427
Schistosoma mansoni	amine GPCR	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0076	0.0604	0.2041
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus granulosus	G protein coupled 5 hydroxytryptamine receptor	0.0112	0.0984	0.3427
Schistosoma mansoni	biogenic amine (dopamine) receptor	0.0112	0.0984	0.6401
Trichomonas vaginalis	aldo-keto reductase, putative	0.0076	0.0604	0.7707
Mycobacterium tuberculosis	Probable oxidoreductase	0.0076	0.0604	0.1222
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus granulosus	rhodopsin orphan GPCR	0.0112	0.0984	0.3427
Trypanosoma brucei	N-myristoyl transferase, putative	0.0093	0.0783	1
Entamoeba histolytica	aldose reductase, putative	0.0076	0.0604	0.757
Loa Loa (eye worm)	TYRA-2 protein	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Loa Loa (eye worm)	neuropeptide F receptor	0.0112	0.0984	0.3427
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0076	0.0604	0.7707
Echinococcus granulosus	aldo keto reductase	0.0076	0.0604	0.2041
Onchocerca volvulus		0.0112	0.0984	1
Echinococcus multilocularis	g protein coupled receptor	0.0112	0.0984	0.0944
Echinococcus multilocularis	g protein linked acetylcholine receptor gar 2a	0.0112	0.0984	0.0944
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0076	0.0604	0.2041
Loa Loa (eye worm)	oxidoreductase	0.0076	0.0604	0.2041
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus multilocularis	neuropeptide receptor	0.0112	0.0984	0.0944
Brugia malayi	neuropeptide F receptor	0.0112	0.0984	0.3427
Schistosoma mansoni	peptide (FMRFamide/neurokinin-3)-like receptor	0.0112	0.0984	0.6401
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0043	0.0259	0.0784
Brugia malayi	larval opioid receptor	0.0112	0.0984	0.3427
Echinococcus multilocularis	G protein coupled 5 hydroxytryptamine receptor	0.0112	0.0984	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Trichomonas vaginalis	aldo/keto reductase, putative	0.0076	0.0604	0.7707
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0076	0.0604	0.0562
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Schistosoma mansoni	ancient conserved domain protein 2 (cyclin m2)	0.0112	0.0984	0.6401
Echinococcus granulosus	sex peptide receptor	0.0112	0.0984	0.3427
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0112	0.0984	0.3427
Brugia malayi	hypothetical protein	0.0112	0.0984	0.3427
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0112	0.0984	0.6401
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1023	0.3572
Echinococcus multilocularis	7TM GPCR, rhodopsin	0.0112	0.0984	0.0944
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427
Echinococcus granulosus	growth hormone secretagogue receptor type 1	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0076	0.0604	0.2041
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0206	0.219
Echinococcus multilocularis	G protein coupled receptor 139	0.0112	0.0984	0.0944
Schistosoma mansoni	alpha-1 adrenergic receptor	0.0112	0.0984	0.6401
Trypanosoma brucei	aldo-keto reductase, putative	0.0076	0.0604	0.757
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0076	0.0604	0.757
Echinococcus granulosus	peptide allatostatin:somatostatin	0.0112	0.0984	0.3427
Echinococcus granulosus	CREB binding protein	0.0163	0.1512	0.5354
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0028	0.0104	0.0219
Echinococcus granulosus	rhodopsin orphan GPCR	0.0112	0.0984	0.3427
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0984	0.3427

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.8913 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL3209199

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1888607